4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-4-26-13-15-27(16-14-26)24(29)21-19-7-5-6-8-20(19)23(28)25(2)22(21)17-9-11-18(30-3)12-10-17/h5-12,21-22H,4,13-16H2,1-3H3/p+1