[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-13-6-7-14(11-16(13)20)22-17(24)12-26-19(25)15-5-4-8-21-18(15)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,24)/p+1