1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one hydrochloride

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(4-methylphenyl)-1-butanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N.Cl

InChI

InChI=1S/C21H30N2O2.ClH/c1-16-7-9-17(10-8-16)5-4-6-20(25)19-12-11-18(23(19)3)13-14-21(2,22)15-24;/h7-12,24H,4-6,13-15,22H2,1-3H3;1H