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

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzoic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)N4CCCC4

InChI

InChI=1S/C25H31N3O3/c1-19-16-22(10-11-23(19)28-14-4-5-15-28)26-24(29)18-31-25(30)21-8-6-20(7-9-21)17-27-12-2-3-13-27/h6-11,16H,2-5,12-15,17-18H2,1H3,(H,26,29)/p+1