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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methoxy-3-methyl-phenyl)butan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methoxy-3-methyl-phenyl)butan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(4-methoxy-3-methylphenyl)-1-butanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(4-methoxy-3-methylphenyl)butan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methoxy-3-methyl-phenyl)butan-1-one hydrochloride Formula: C22H33ClN2O3 MolecularWeight: 408.96202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3.ClH/c1-16-14-17(8-11-21(16)27-4)6-5-7-20(26)19-10-9-18(24(19)3)12-13-22(2,23)15-25;/h8-11,14,25H,5-7,12-13,15,23H2,1-4H3;1H