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

Systemtic Name: [2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C[NH2+]CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C[NH2+]CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H30N2O/c1-15(2)14-22-16(3)12-19(17(22)4)13-21-11-10-18-6-8-20(23-5)9-7-18/h6-9,12,15,21H,10-11,13-14H2,1-5H3/p+1