4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(4-methoxyphenyl)-2-methyl-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C30H32N3O5+ MolecularWeight: 514.59218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C30H31N3O5/c1-31-28(21-8-10-22(36-2)11-9-21)27(23-5-3-4-6-24(23)29(31)34)30(35)33-15-13-32(14-16-33)18-20-7-12-25-26(17-20)38-19-37-25/h3-12,17,27-28H,13-16,18-19H2,1-2H3/p+1