cyclopentyl-[(2S)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: cyclopentyl-[(2S)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: cyclopentyl-[(1S)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: cyclopentyl-[(2S)-1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: cyclopentyl-[(2S)-1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-cyclopentyl-dimethyl-ammonium Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)[N+](C)(C)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@H](C)[N+](C)(C)C3CCCC3

InChI

InChI=1S/C23H30N2O3S/c1-5-28-23(27)19-15-20(17-11-7-6-8-12-17)29-22(19)24-21(26)16(2)25(3,4)18-13-9-10-14-18/h6-8,11-12,15-16,18H,5,9-10,13-14H2,1-4H3/p+1/t16-/m0/s1