N-[(4-nitrophenyl)methyl]-4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]aniline

Systemtic Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]aniline Openeye Name: 4-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-N-[(4-nitrophenyl)methyl]aniline CAS Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: 4-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-N-[(4-nitrophenyl)methyl]aniline Traditional Name: [4-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]phenyl]-(4-nitrobenzyl)amine Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c31-30(32)26-12-8-23(9-13-26)20-27-25-10-6-22(7-11-25)14-15-28-16-18-29(19-17-28)21-24-4-2-1-3-5-24/h1-13,27H,14-21H2/p+1