1-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]thiophen-2-yl]-3-phenyl-propan-1-one hydrochloride

Systemtic Name: 1-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]thiophen-2-yl]-3-phenyl-propan-1-one hydrochloride Openeye Name: 1-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-thienyl]-3-phenyl-propan-1-one hydrochloride CAS Name: 1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-2-thiophenyl]-3-phenyl-1-propanone hydrochloride IUPAC Name: 1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]thiophen-2-yl]-3-phenylpropan-1-one hydrochloride Traditional Name: 1-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-thienyl]-3-phenyl-propan-1-one hydrochloride Formula: C20H28ClNO3S MolecularWeight: 397.95922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(SC=C1)C(=O)CCC2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=C(SC=C1)C(=O)CCC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C20H27NO3S.ClH/c1-20(2,3)21-13-16(22)14-24-18-11-12-25-19(18)17(23)10-9-15-7-5-4-6-8-15;/h4-8,11-12,16,21-22H,9-10,13-14H2,1-3H3;1H