1-[2-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-phenyl]-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-phenyl]-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-nitro-phenyl]-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazinyl]-5-nitrophenyl]-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-nitrophenyl]-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-[2-(4-benzhydrylpiperazino)-5-nitro-phenyl]-3,4-dihydroisoquinolin-2-ium Formula: C32H31N4O2+ MolecularWeight: 503.61414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C[NH+]=C(C2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H30N4O2/c37-36(38)27-15-16-30(29(23-27)31-28-14-8-7-9-24(28)17-18-33-31)34-19-21-35(22-20-34)32(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-16,23,32H,17-22H2/p+1