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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H26N2O/c1-15-7-9-18(10-8-15)22-16(2)13-19(17(22)3)20(23)14-21-11-5-4-6-12-21/h7-10,13H,4-6,11-12,14H2,1-3H3/p+1