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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)18-14(2)19(22-15(18)3)20(25)23-17-9-7-16(8-10-17)13-24-11-5-6-12-24/h7-10,22H,4-6,11-13H2,1-3H3,(H,23,25)/p+1