[3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]-propan-2-yl-azanium dichloride

Systemtic Name: [3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]-propan-2-yl-azanium dichloride Openeye Name: [3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium dichloride CAS Name: [3-(1-azepan-1-iumyl)-2-hydroxypropyl]-propan-2-ylammonium dichloride IUPAC Name: [3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride Traditional Name: [3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium dichloride Formula: C12H28Cl2N2O MolecularWeight: 287.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(C[NH+]1CCCCCC1)O.[Cl-].[Cl-]

Isomeric SMILES

CC(C)[NH2+]CC(C[NH+]1CCCCCC1)O.[Cl-].[Cl-]

InChI

InChI=1S/C12H26N2O.2ClH/c1-11(2)13-9-12(15)10-14-7-5-3-4-6-8-14;;/h11-13,15H,3-10H2,1-2H3;2*1H