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

Systemtic Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C22H30N2O2/c1-5-26-20-8-6-19(7-9-20)24-17(3)14-21(18(24)4)22(25)15-23-12-10-16(2)11-13-23/h6-9,14,16H,5,10-13,15H2,1-4H3/p+1