(6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-6-tert-butyl-N-(2-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O3S/c1-26(2,3)17-11-12-18-21(15-17)33-25(28-22(30)16-29-13-7-8-14-29)23(18)24(31)27-19-9-5-6-10-20(19)32-4/h5-6,9-10,17H,7-8,11-16H2,1-4H3,(H,27,31)(H,28,30)/p+1/t17-/m1/s1