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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Openeye Name: 3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(p-tolylmethyl)pyrrole-2-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-16-4-6-19(7-5-16)15-24-18(3)14-17(2)20(24)21(25)22-8-9-23-10-12-26-13-11-23/h4-7,14H,8-13,15H2,1-3H3,(H,22,25)/p+1