[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzoic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C23H27N3O4/c1-16-6-5-7-20(17(16)2)24-23(29)25-21(27)15-30-22(28)19-10-8-18(9-11-19)14-26-12-3-4-13-26/h5-11H,3-4,12-15H2,1-2H3,(H2,24,25,27,29)/p+1