4-ethanoyl-3,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-3,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-3,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-3,5-dimethyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-3,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-3,5-dimethyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O3/c1-14-19(16(3)25)15(2)23-20(14)21(26)22-12-17-4-6-18(7-5-17)13-24-8-10-27-11-9-24/h4-7,23H,8-13H2,1-3H3,(H,22,26)/p+1