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

Systemtic Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl butanoate; hydrochloride Openeye Name: 1-(4-isopropyl-2-thienyl)propyl butanoate; octan-1-amine; hydrochloride CAS Name: butanoic 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 butanoate; hydrochloride Traditional Name: butyric acid 1-(4-isopropyl-2-thienyl)propyl ester; octylamine; hydrochloride Formula: C22H42ClNO2S MolecularWeight: 420.09238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O2S.C8H19N.ClH/c1-5-7-14(15)16-12(6-2)13-8-11(9-17-13)10(3)4;1-2-3-4-5-6-7-8-9;/h8-10,12H,5-7H2,1-4H3;2-9H2,1H3;1H