[2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]azanium

Systemtic Name: [2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]azanium Openeye Name: [2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]ammonium CAS Name: [2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]ammonium IUPAC Name: [2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]azanium Traditional Name: [2-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)butyl]ammonium Formula: C12H29N3+2 MolecularWeight: 215.37876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C[NH3+])N1CCC[NH+](CC1)C

Isomeric SMILES

CCC(CC)(C[NH3+])N1CCC[NH+](CC1)C

InChI

InChI=1S/C12H27N3/c1-4-12(5-2,11-13)15-8-6-7-14(3)9-10-15/h4-11,13H2,1-3H3/p+2