4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-nitro-1-phenyl-quinolin-2-one

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-nitro-1-phenyl-quinolin-2-one Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitro-1-phenyl-quinolin-2-one CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-nitro-1-phenyl-2-quinolinone IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitro-1-phenylquinolin-2-one Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitro-1-phenyl-carbostyril Formula: C32H29N4O3+ MolecularWeight: 517.59766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)N(C5=CC=CC=C54)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)N(C5=CC=CC=C54)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H28N4O3/c37-32-31(36(38)39)30(27-18-10-11-19-28(27)35(32)26-16-8-3-9-17-26)34-22-20-33(21-23-34)29(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-19,29H,20-23H2/p+1