4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid hydrochloride

Systemtic Name: 4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid hydrochloride Openeye Name: 4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]benzoic acid hydrochloride CAS Name: 4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]prop-2-ynoxy]benzoic acid hydrochloride IUPAC Name: 4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid hydrochloride Traditional Name: 4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]benzoic acid hydrochloride Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)O)C(N)O.Cl

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)O)C(N)O.Cl

InChI

InChI=1S/C19H21NO4S.ClH/c1-13(18(20)21)4-9-17-11-10-16(25-17)3-2-12-24-15-7-5-14(6-8-15)19(22)23;/h5-8,10-11,13,18,21H,4,9,12,20H2,1H3,(H,22,23);1H