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

Systemtic Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl ethanoate; hydrochloride Openeye Name: 1-(4-isopropyl-2-thienyl)propyl acetate; octan-1-amine; hydrochloride CAS Name: acetic acid 1-(4-propan-2-yl-2-thiophenyl)propyl ester; 1-octanamine; hydrochloride IUPAC Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl acetate; hydrochloride Traditional Name: acetic acid 1-(4-isopropyl-2-thienyl)propyl ester; octylamine; hydrochloride Formula: C20H38ClNO2S MolecularWeight: 392.03922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2S.C8H19N.ClH/c1-5-11(14-9(4)13)12-6-10(7-15-12)8(2)3;1-2-3-4-5-6-7-8-9;/h6-8,11H,5H2,1-4H3;2-9H2,1H3;1H