1-[2-[(5-methyl-2-propan-2-yl-cyclohexyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[(5-methyl-2-propan-2-yl-cyclohexyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-[(2-isopropyl-5-methyl-cyclohexyl)amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-[(2-isopropyl-5-methyl-cyclohexyl)amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C18H28ClN3O2 MolecularWeight: 353.88682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)C(C)C.[Cl-]

InChI

InChI=1S/C18H27N3O2.ClH/c1-12(2)15-7-6-13(3)9-16(15)20-17(22)11-21-8-4-5-14(10-21)18(19)23;/h4-5,8,10,12-13,15-16H,6-7,9,11H2,1-3H3,(H2-,19,20,22,23);1H