(4-methylpiperazin-4-ium-1-yl)-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone Openeye Name: [2-(4-isopropoxyphenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(4-propan-2-yloxyphenyl)-4-quinolinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone Traditional Name: [2-(4-isopropoxyphenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N3O2/c1-17(2)29-19-10-8-18(9-11-19)23-16-21(20-6-4-5-7-22(20)25-23)24(28)27-14-12-26(3)13-15-27/h4-11,16-17H,12-15H2,1-3H3/p+1