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

Systemtic Name: 8-ethyl-2-methyl-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]-8-ethyl-2-methyl-1H-quinolin-4-one CAS Name: 8-ethyl-2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-8-ethyl-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-8-ethyl-2-methyl-4-quinolone Formula: C24H31N3O+2 MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

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