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

Systemtic Name: methyl 4-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H25N3O3/c1-22-11-3-5-17(22)18-6-4-12-23(18)14-19(24)21-13-15-7-9-16(10-8-15)20(25)26-2/h3,5,7-11,18H,4,6,12-14H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1