[(2R)-1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1R)-2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H](C)[NH+](C)C

InChI

InChI=1S/C16H24N2O3S/c1-5-21-16(20)13-11-8-6-7-9-12(11)22-15(13)17-14(19)10(2)18(3)4/h10H,5-9H2,1-4H3,(H,17,19)/p+1/t10-/m1/s1