3-methyl-1-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one

Systemtic Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-quinolin-2-one CAS Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinolinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-phenylquinolin-2-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-carbostyril Formula: C27H28N3O+ MolecularWeight: 410.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O/c1-21-26(29-18-16-28(17-19-29)20-22-10-4-2-5-11-22)24-14-8-9-15-25(24)30(27(21)31)23-12-6-3-7-13-23/h2-15H,16-20H2,1H3/p+1