(2S,3S)-2-(acridin-10-ium-9-ylamino)-1-[4-[(2S,3S)-2-(acridin-10-ium-9-ylamino)-3-methyl-pentanoyl]piperazin-1-yl]-3-methyl-pentan-1-one dichloride

Systemtic Name: (2S,3S)-2-(acridin-10-ium-9-ylamino)-1-[4-[(2S,3S)-2-(acridin-10-ium-9-ylamino)-3-methyl-pentanoyl]piperazin-1-yl]-3-methyl-pentan-1-one dichloride Openeye Name: (2S,3S)-2-(acridin-10-ium-9-ylamino)-1-[4-[(2S,3S)-2-(acridin-10-ium-9-ylamino)-3-methyl-pentanoyl]piperazin-1-yl]-3-methyl-pentan-1-one dichloride CAS Name: (2S,3S)-2-(9-acridin-10-iumylamino)-1-[4-[(2S,3S)-2-(9-acridin-10-iumylamino)-3-methyl-1-oxopentyl]-1-piperazinyl]-3-methyl-1-pentanone dichloride IUPAC Name: (2S,3S)-2-(acridin-10-ium-9-ylamino)-1-[4-[(2S,3S)-2-(acridin-10-ium-9-ylamino)-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one dichloride Traditional Name: (2S,3S)-2-(acridin-10-ium-9-ylamino)-1-[4-[(2S,3S)-2-(acridin-10-ium-9-ylamino)-3-methyl-pentanoyl]piperazino]-3-methyl-pentan-1-one dichloride Formula: C42H48Cl2N6O2 MolecularWeight: 739.77552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC2=C3C=CC=CC3=[NH+]C4=CC=CC=C42)NC5=C6C=CC=CC6=[NH+]C7=CC=CC=C75.[Cl-].[Cl-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)NC2=C3C=CC=CC3=[NH+]C4=CC=CC=C42)NC5=C6C=CC=CC6=[NH+]C7=CC=CC=C75.[Cl-].[Cl-]

InChI

InChI=1S/C42H46N6O2.2ClH/c1-5-27(3)37(45-39-29-15-7-11-19-33(29)43-34-20-12-8-16-30(34)39)41(49)47-23-25-48(26-24-47)42(50)38(28(4)6-2)46-40-31-17-9-13-21-35(31)44-36-22-14-10-18-32(36)40;;/h7-22,27-28,37-38H,5-6,23-26H2,1-4H3,(H,43,45)(H,44,46);2*1H/t27-,28-,37-,38-;;/m0../s1