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

Systemtic Name: [(1S,2R,4S)-4-tert-butyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]azanium Openeye Name: [(1S,2R,4S)-4-tert-butyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium CAS Name: [(1S,2R,4S)-4-tert-butyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2R,4S)-4-tert-butyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]azanium Traditional Name: [(1S,2R,4S)-4-tert-butyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)cyclohexyl]ammonium Formula: C16H35N3+2 MolecularWeight: 269.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H33N3/c1-16(2,3)13-6-7-14(17)15(12-13)19-9-5-8-18(4)10-11-19/h13-15H,5-12,17H2,1-4H3/p+2/t13-,14-,15+/m0/s1