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

Systemtic Name: [(1S,2S,4S)-4-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-4-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-4-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-4-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-ethyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium Formula: C14H31N3+2 MolecularWeight: 241.41604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H29N3/c1-3-12-5-6-13(15)14(11-12)17-8-4-7-16(2)9-10-17/h12-14H,3-11,15H2,1-2H3/p+2/t12-,13-,14-/m0/s1