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

Systemtic Name: N-cyclopropyl-3-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C5=CC=CS5)OC

InChI

InChI=1S/C27H29N3O4S/c1-33-22-14-17-10-11-30(26(24-7-4-12-35-24)21(17)15-23(22)34-2)16-25(31)28-20-6-3-5-18(13-20)27(32)29-19-8-9-19/h3-7,12-15,19,26H,8-11,16H2,1-2H3,(H,28,31)(H,29,32)/p+1/t26-/m0/s1