4-(4-methylphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(4-methylphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-methylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-methylphenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-methylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-p-toluoyl-1H-pyrrole-2-carboxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O3/c1-15-3-5-16(6-4-15)19(24)17-13-18(22-14-17)20(25)21-7-2-8-23-9-11-26-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)/p+1