6-methoxy-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 6-methoxy-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-methoxy-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-methoxy-2-phenyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-methoxy-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-methoxy-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-32-22-12-13-25-23(18-22)27(31)24(26(28-25)20-8-4-2-5-9-20)19-29-14-16-30(17-15-29)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3,(H,28,31)/p+1