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

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-3-carboxamide Formula: C22H24N3O4S2+ MolecularWeight: 458.57366

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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)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=CS4)OC

InChI

InChI=1S/C22H23N3O4S2/c1-28-16-10-13-5-7-25(12-19(26)24-22-14(21(23)27)6-9-31-22)20(18-4-3-8-30-18)15(13)11-17(16)29-2/h3-4,6,8-11,20H,5,7,12H2,1-2H3,(H2,23,27)(H,24,26)/p+1/t20-/m0/s1