[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H19N3O3S/c20-11-16-7-10-26-18(16)21-17(23)13-25-19(24)15-5-3-14(4-6-15)12-22-8-1-2-9-22/h3-7,10H,1-2,8-9,12-13H2,(H,21,23)/p+1