1-phenylpropan-2-yl-(pyridin-1-ium-2-ylcarbonylamino)azanium dichloride

Systemtic Name: 1-phenylpropan-2-yl-(pyridin-1-ium-2-ylcarbonylamino)azanium dichloride Openeye Name: (1-methyl-2-phenyl-ethyl)-(pyridin-1-ium-2-carbonylamino)ammonium dichloride CAS Name: [[oxo(2-pyridin-1-iumyl)methyl]amino]-(1-phenylpropan-2-yl)ammonium dichloride IUPAC Name: 1-phenylpropan-2-yl-(pyridin-1-ium-2-carbonylamino)azanium dichloride Traditional Name: (1-methyl-2-phenyl-ethyl)-(pyridin-1-ium-2-carbonylamino)ammonium dichloride Formula: C15H19Cl2N3O MolecularWeight: 328.23686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH2+]NC(=O)C2=CC=CC=[NH+]2.[Cl-].[Cl-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[NH2+]NC(=O)C2=CC=CC=[NH+]2.[Cl-].[Cl-]

InChI

InChI=1S/C15H17N3O.2ClH/c1-12(11-13-7-3-2-4-8-13)17-18-15(19)14-9-5-6-10-16-14;;/h2-10,12,17H,11H2,1H3,(H,18,19);2*1H