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

Systemtic Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [6-ethoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C24H29N3O3+2 MolecularWeight: 407.50536

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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)OC)N4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-4-30-19-9-10-22-20(15-19)23(27-13-11-26(2)12-14-27)21(16-25-22)24(28)17-5-7-18(29-3)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3/p+2