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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)N2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C13H27N3/c1-11-4-5-12(14)13(10-11)16-7-3-6-15(2)8-9-16/h11-13H,3-10,14H2,1-2H3/p+2/t11-,12-,13-/m0/s1