octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)butyl ethanoate; hydrochloride

Systemtic Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)butyl ethanoate; hydrochloride Openeye Name: 1-(4-isopropyl-2-thienyl)butyl acetate; octan-1-amine; hydrochloride CAS Name: acetic acid 1-(4-propan-2-yl-2-thiophenyl)butyl ester; 1-octanamine; hydrochloride IUPAC Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)butyl acetate; hydrochloride Traditional Name: acetic acid 1-(4-isopropyl-2-thienyl)butyl ester; octylamine; hydrochloride Formula: C21H40ClNO2S MolecularWeight: 406.0658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CCCC(C1=CC(=CS1)C(C)C)OC(=O)C.Cl

Isomeric SMILES

CCCCCCCCN.CCCC(C1=CC(=CS1)C(C)C)OC(=O)C.Cl

InChI

InChI=1S/C13H20O2S.C8H19N.ClH/c1-5-6-12(15-10(4)14)13-7-11(8-16-13)9(2)3;1-2-3-4-5-6-7-8-9;/h7-9,12H,5-6H2,1-4H3;2-9H2,1H3;1H