N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H38N3O3+ MolecularWeight: 464.61962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1CC(C[NH+](C1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H37N3O3/c1-19-16-20(2)18-31(17-19)15-7-14-29-27(32)25-23-8-5-6-9-24(23)28(33)30(3)26(25)21-10-12-22(34-4)13-11-21/h5-6,8-13,19-20,25-26H,7,14-18H2,1-4H3,(H,29,32)/p+1