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

Systemtic Name: cyclopentyl-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: cyclopentyl-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: cyclopentyl-[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-dimethylammonium IUPAC Name: cyclopentyl-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-cyclopentyl-dimethyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-4-27-22(26)18-14-19(16-10-6-5-7-11-16)28-21(18)23-20(25)15-24(2,3)17-12-8-9-13-17/h5-7,10-11,14,17H,4,8-9,12-13,15H2,1-3H3/p+1