[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium

Systemtic Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium Openeye Name: isopentyl-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-(3-methylbutyl)ammonium IUPAC Name: [2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-(3-methylbutyl)azanium Traditional Name: isoamyl-[2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]ammonium Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH2+]CCC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH2+]CCC(C)C

InChI

InChI=1S/C20H28N2O2/c1-14(2)10-11-21-13-20(23)19-12-15(3)22(16(19)4)17-6-8-18(24-5)9-7-17/h6-9,12,14,21H,10-11,13H2,1-5H3/p+1