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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-methyl-3-nitro-quinolin-2-one Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-3-nitro-quinolin-2-one CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-methyl-3-nitro-2-quinolinone IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-3-nitroquinolin-2-one Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-3-nitro-carbostyril Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-28-23-15-9-8-14-22(23)25(26(27(28)32)31(33)34)30-18-16-29(17-19-30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3/p+1