methyl 2,4-dimethyl-5-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3/c1-14-18(21(26)27-3)15(2)23-19(14)20(25)22-13-17(24-11-7-8-12-24)16-9-5-4-6-10-16/h4-6,9-10,17,23H,7-8,11-13H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1