[(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]azanium

Systemtic Name: [(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]azanium Openeye Name: [(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]ammonium CAS Name: [(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]ammonium IUPAC Name: [(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]azanium Traditional Name: [(1S,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cycloheptyl]ammonium Formula: C13H29N3+2 MolecularWeight: 227.38946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2CCCCCC2[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H]2CCCCC[C@@H]2[NH3+]

InChI

InChI=1S/C13H27N3/c1-15-8-5-9-16(11-10-15)13-7-4-2-3-6-12(13)14/h12-13H,2-11,14H2,1H3/p+2/t12-,13+/m0/s1