2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C29H31FN3O3+ MolecularWeight: 488.573143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H30FN3O3/c1-31-15-17-32(18-16-31)29(35)26-24-5-3-4-6-25(24)28(34)33(19-20-7-11-22(30)12-8-20)27(26)21-9-13-23(36-2)14-10-21/h3-14,26-27H,15-19H2,1-2H3/p+1