5-nitro-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-2-amine

Systemtic Name: 5-nitro-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-2-amine Openeye Name: 5-nitro-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-2-amine CAS Name: 5-nitro-N-[[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]-2-pyridinamine IUPAC Name: 5-nitro-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-2-amine Traditional Name: (5-nitro-2-pyridyl)-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzyl]amine Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2CNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2CNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c29-28(30)22-10-11-23(25-17-22)24-16-19-6-4-5-7-20(19)18-26-12-14-27(15-13-26)21-8-2-1-3-9-21/h1-11,17H,12-16,18H2,(H,24,25)/p+1