N-cyclohexyl-2-[prop-2-ynyl(2-pyridin-1-ium-1-ylethanoyl)amino]butanamide chloride

Systemtic Name: N-cyclohexyl-2-[prop-2-ynyl(2-pyridin-1-ium-1-ylethanoyl)amino]butanamide chloride Openeye Name: N-cyclohexyl-2-[prop-2-ynyl-(2-pyridin-1-ium-1-ylacetyl)amino]butanamide chloride CAS Name: N-cyclohexyl-2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-prop-2-ynylamino]butanamide chloride IUPAC Name: N-cyclohexyl-2-[prop-2-ynyl-(2-pyridin-1-ium-1-ylacetyl)amino]butanamide chloride Traditional Name: N-cyclohexyl-2-[propargyl-(2-pyridin-1-ium-1-ylacetyl)amino]butyramide chloride Formula: C20H28ClN3O2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)N(CC#C)C(=O)C[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)N(CC#C)C(=O)C[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H27N3O2.ClH/c1-3-13-23(19(24)16-22-14-9-6-10-15-22)18(4-2)20(25)21-17-11-7-5-8-12-17;/h1,6,9-10,14-15,17-18H,4-5,7-8,11-13,16H2,2H3;1H