3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisocarbostyril Formula: C27H36N3O6+ MolecularWeight: 498.59124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6/c1-7-29-10-12-30(13-11-29)27(32)24-18-15-22(35-5)23(36-6)16-19(18)26(31)28(2)25(24)17-8-9-20(33-3)21(14-17)34-4/h8-9,14-16,24-25H,7,10-13H2,1-6H3/p+1