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

Systemtic Name: methyl 2,4-dimethyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3/c1-15-19(22(27)28-3)16(2)24-20(15)21(26)23-13-17-9-5-6-10-18(17)14-25-11-7-4-8-12-25/h5-6,9-10,24H,4,7-8,11-14H2,1-3H3,(H,23,26)/p+1