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

Systemtic Name: ethyl 2,4-dimethyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C23H31N3O3/c1-4-29-23(28)20-16(2)21(25-17(20)3)22(27)24-14-18-8-10-19(11-9-18)15-26-12-6-5-7-13-26/h8-11,25H,4-7,12-15H2,1-3H3,(H,24,27)/p+1