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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O2/c1-15-13-19(20(23)14-21-11-5-4-6-12-21)16(2)22(15)17-7-9-18(24-3)10-8-17/h7-10,13H,4-6,11-12,14H2,1-3H3/p+1