N-[(3-nitrophenyl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Traditional Name: (3-nitrobenzyl)-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]amine Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c29-28(30)24-11-5-6-20(17-24)18-25-22-8-4-7-21(16-22)19-26-12-14-27(15-13-26)23-9-2-1-3-10-23/h1-11,16-17,25H,12-15,18-19H2/p+1