(4-but-3-en-1-ynyl-1-methyl-piperidin-4-yl) benzoate hydrochloride

Systemtic Name: (4-but-3-en-1-ynyl-1-methyl-piperidin-4-yl) benzoate hydrochloride Openeye Name: (4-but-3-en-1-ynyl-1-methyl-4-piperidyl) benzoate hydrochloride CAS Name: benzoic acid (4-but-3-en-1-ynyl-1-methyl-4-piperidinyl) ester hydrochloride IUPAC Name: (4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) benzoate hydrochloride Traditional Name: benzoic acid (4-but-3-en-1-ynyl-1-methyl-4-piperidyl) ester hydrochloride Formula: C17H20ClNO2 MolecularWeight: 305.7992

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#CC=C)OC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CN1CCC(CC1)(C#CC=C)OC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H19NO2.ClH/c1-3-4-10-17(11-13-18(2)14-12-17)20-16(19)15-8-6-5-7-9-15;/h3,5-9H,1,11-14H2,2H3;1H