4-ethanoyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-1H-pyrrole-2-carboxamide Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c1-14(23)16-11-18(20-12-16)19(24)21-17-7-9-22(10-8-17)13-15-5-3-2-4-6-15/h2-6,11-12,17,20H,7-10,13H2,1H3,(H,21,24)/p+1