(5-methyl-2-propan-2-yl-cyclohexyl)-(pyridin-1-ium-4-ylcarbonylamino)azanium dichloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl)-(pyridin-1-ium-4-ylcarbonylamino)azanium dichloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl)-(pyridin-1-ium-4-carbonylamino)ammonium dichloride CAS Name: (5-methyl-2-propan-2-ylcyclohexyl)-[[oxo(4-pyridin-1-iumyl)methyl]amino]ammonium dichloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl)-(pyridin-1-ium-4-carbonylamino)azanium dichloride Traditional Name: (2-isopropyl-5-methyl-cyclohexyl)-(pyridin-1-ium-4-carbonylamino)ammonium dichloride Formula: C16H27Cl2N3O MolecularWeight: 348.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]NC(=O)C2=CC=[NH+]C=C2)C(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1CCC(C(C1)[NH2+]NC(=O)C2=CC=[NH+]C=C2)C(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C16H25N3O.2ClH/c1-11(2)14-5-4-12(3)10-15(14)18-19-16(20)13-6-8-17-9-7-13;;/h6-9,11-12,14-15,18H,4-5,10H2,1-3H3,(H,19,20);2*1H