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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(3,4-dimethylphenyl)-1-butanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one hydrochloride Formula: C22H33ClN2O2 MolecularWeight: 392.96262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2.ClH/c1-16-8-9-18(14-17(16)2)6-5-7-21(26)20-11-10-19(24(20)4)12-13-22(3,23)15-25;/h8-11,14,25H,5-7,12-13,15,23H2,1-4H3;1H