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

Systemtic Name: 6-chloranyl-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]-6-chloro-2,8-dimethyl-1H-quinolin-4-one CAS Name: 6-chloro-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]-6-chloro-2,8-dimethyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-chloro-2,8-dimethyl-4-quinolone Formula: C23H28ClN3O+2 MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=O)C(=C(N2)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=O)C(=C(N2)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26ClN3O/c1-16-12-19(24)13-20-22(16)25-17(2)21(23(20)28)15-27-10-8-26(9-11-27)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,25,28)/p+2