methyl 4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3/c1-21-11-3-5-16(21)17-6-4-12-22(17)13-18(23)20-15-9-7-14(8-10-15)19(24)25-2/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1