2-nitro-N-(phenylmethyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: N-benzyl-5-(4-benzylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: N-benzyl-5-(4-benzylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-benzylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

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