2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=C(C=CS3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=C(C=CS3)C(=O)N)OC

InChI

InChI=1S/C18H21N3O4S/c1-24-14-7-11-3-5-21(9-12(11)8-15(14)25-2)10-16(22)20-18-13(17(19)23)4-6-26-18/h4,6-8H,3,5,9-10H2,1-2H3,(H2,19,23)(H,20,22)/p+1