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

Systemtic Name: 5-chloranyl-8-methoxy-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]-5-chloro-8-methoxy-2-methyl-1H-quinolin-4-one CAS Name: 5-chloro-8-methoxy-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]-5-chloro-8-methoxy-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-chloro-8-methoxy-2-methyl-4-quinolone Formula: C23H28ClN3O2+2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)Cl)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)Cl)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26ClN3O2/c1-16-18(23(28)21-19(24)8-9-20(29-2)22(21)25-16)15-27-12-10-26(11-13-27)14-17-6-4-3-5-7-17/h3-9H,10-15H2,1-2H3,(H,25,28)/p+2