1-[4-methyl-3-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]thiophen-2-yl]-3-phenyl-propan-1-one hydrochloride

Systemtic Name: 1-[4-methyl-3-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]thiophen-2-yl]-3-phenyl-propan-1-one hydrochloride Openeye Name: 1-[3-[2-hydroxy-3-(isobutylamino)propoxy]-4-methyl-2-thienyl]-3-phenyl-propan-1-one hydrochloride CAS Name: 1-[3-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4-methyl-2-thiophenyl]-3-phenyl-1-propanone hydrochloride IUPAC Name: 1-[3-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4-methylthiophen-2-yl]-3-phenylpropan-1-one hydrochloride Traditional Name: 1-[3-[2-hydroxy-3-(isobutylamino)propoxy]-4-methyl-2-thienyl]-3-phenyl-propan-1-one hydrochloride Formula: C21H30ClNO3S MolecularWeight: 411.9858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1OCC(CNCC(C)C)O)C(=O)CCC2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CSC(=C1OCC(CNCC(C)C)O)C(=O)CCC2=CC=CC=C2.Cl

InChI

InChI=1S/C21H29NO3S.ClH/c1-15(2)11-22-12-18(23)13-25-20-16(3)14-26-21(20)19(24)10-9-17-7-5-4-6-8-17;/h4-8,14-15,18,22-23H,9-13H2,1-3H3;1H