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

Systemtic Name: 6-ethanoyl-2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-acetyl-3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-acetyl-2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-acetyl-3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-acetyl-3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-17-22(24(29)21-14-20(18(2)28)8-9-23(21)25-17)16-27-12-10-26(11-13-27)15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,29)/p+2