2,5,7-trimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2,5,7-trimethyl-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]-2,5,7-trimethyl-1H-quinolin-4-one CAS Name: 2,5,7-trimethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,5,7-trimethyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,5,7-trimethyl-4-quinolone Formula: C24H31N3O+2 MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N3O/c1-17-13-18(2)23-22(14-17)25-19(3)21(24(23)28)16-27-11-9-26(10-12-27)15-20-7-5-4-6-8-20/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,25,28)/p+2