1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-14-20(16(3)24)15(2)22-21(14)19(25)13-23-11-9-18(10-12-23)17-7-5-4-6-8-17/h4-8,18,22H,9-13H2,1-3H3/p+1