(2S)-1-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H35N3O2/c29-24(20-26-13-5-2-6-14-26)21-30-25-11-9-22(10-12-25)19-27-15-17-28(18-16-27)23-7-3-1-4-8-23/h1,3-4,7-12,24,29H,2,5-6,13-21H2/p+2/t24-/m0/s1