N-[1-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]ethyl]-2-methyl-5-nitro-aniline

Systemtic Name: N-[1-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]ethyl]-2-methyl-5-nitro-aniline Openeye Name: N-[1-(4-benzhydrylpiperazin-1-ium-1-ylidene)ethyl]-2-methyl-5-nitro-aniline CAS Name: N-[1-[4-(diphenylmethyl)-1-piperazin-1-iumylidene]ethyl]-2-methyl-5-nitroaniline IUPAC Name: N-[1-(4-benzhydrylpiperazin-1-ium-1-ylidene)ethyl]-2-methyl-5-nitroaniline Traditional Name: 1-(4-benzhydrylpiperazin-1-ium-1-ylidene)ethyl-(2-methyl-5-nitro-phenyl)amine Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H28N4O2/c1-20-13-14-24(30(31)32)19-25(20)27-21(2)28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26H,15-18H2,1-2H3/p+1