1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-phenyl-pentan-1-one hydrochloride

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-phenyl-pentan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-5-phenyl-pentan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-5-phenyl-1-pentanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-phenylpentan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-5-phenyl-pentan-1-one hydrochloride Formula: C20H28ClNO2S MolecularWeight: 381.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCCC2=CC=CC=C2)(CO)N.Cl

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCCC2=CC=CC=C2)(CO)N.Cl

InChI

InChI=1S/C20H27NO2S.ClH/c1-20(21,15-22)14-13-17-11-12-19(24-17)18(23)10-6-5-9-16-7-3-2-4-8-16;/h2-4,7-8,11-12,22H,5-6,9-10,13-15,21H2,1H3;1H