methyl 2,4-dimethyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]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)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

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