N-(diphenylmethyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-26-14-16-27(17-15-26)21-12-13-23(28(29)30)22(18-21)25-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24-25H,14-17H2,1H3/p+1