[6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [6-ethoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(p-tolyl)methanone Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=C(C=C3)C)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=C(C=C3)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N3O2/c1-4-29-19-9-10-22-20(15-19)23(27-13-11-26(3)12-14-27)21(16-25-22)24(28)18-7-5-17(2)6-8-18/h5-10,15-16H,4,11-14H2,1-3H3/p+2