2,8-dimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2,8-dimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-1H-quinolin-4-one CAS Name: 2,8-dimethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-4-quinolone Formula: C23H29N3O+2 MolecularWeight: 363.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O/c1-17-7-6-10-20-22(17)24-18(2)21(23(20)27)16-26-13-11-25(12-14-26)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,24,27)/p+2