6,7-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CS4

InChI

InChI=1S/C24H33N3O3S/c1-17-6-9-26(10-7-17)20(23-5-4-12-31-23)15-25-24(28)27-11-8-18-13-21(29-2)22(30-3)14-19(18)16-27/h4-5,12-14,17,20H,6-11,15-16H2,1-3H3,(H,25,28)/p+1/t20-/m0/s1