(2S)-1-(4-phenylpiperazin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-phenyl-1-piperazinyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-phenylpiperazino)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Formula: C22H31N5O+2 MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N5O/c1-19(24-11-15-26(16-12-24)21-9-5-6-10-23-21)22(28)27-17-13-25(14-18-27)20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3/p+2/t19-/m0/s1