[(1S)-2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-carbomethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC[C@@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C17H23N3O3S/c1-10-14(17(22)23-5)11(2)19-15(10)16(21)18-9-12(20(3)4)13-7-6-8-24-13/h6-8,12,19H,9H2,1-5H3,(H,18,21)/p+1/t12-/m0/s1