1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-15-21(17(3)25)16(2)23-22(15)20(26)14-24-11-9-19(10-12-24)13-18-7-5-4-6-8-18/h4-8,19,23H,9-14H2,1-3H3/p+1