4-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-benzamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC

InChI

InChI=1S/C25H27N3O4S/c1-26-25(30)16-6-8-18(9-7-16)27-23(29)15-28-11-10-17-13-20(31-2)21(32-3)14-19(17)24(28)22-5-4-12-33-22/h4-9,12-14,24H,10-11,15H2,1-3H3,(H,26,30)(H,27,29)/p+1/t24-/m0/s1