3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Openeye Name: 3,5-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolylmethyl)pyrrole-2-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrrolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=C2C(=O)NCCC[NH+]3CCOCC3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=C2C(=O)NCCC[NH+]3CCOCC3)C)C

InChI

InChI=1S/C22H31N3O2/c1-17-5-7-20(8-6-17)16-25-19(3)15-18(2)21(25)22(26)23-9-4-10-24-11-13-27-14-12-24/h5-8,15H,4,9-14,16H2,1-3H3,(H,23,26)/p+1