3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C24H29FN3O3+ MolecularWeight: 426.503763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H28FN3O3/c1-26-11-13-27(14-12-26)24(30)21-19-5-3-4-6-20(19)23(29)28(15-16-31-2)22(21)17-7-9-18(25)10-8-17/h3-10,21-22H,11-16H2,1-2H3/p+1