[(1S,2S,4S)-2-(benzimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-2-(benzimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(benzimidazol-1-yl)-4-(1,1-dimethylpropyl)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(1-benzimidazolyl)-4-(2-methylbutan-2-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(benzimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-tert-amyl-2-(benzimidazol-1-yl)cyclohexyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)N2C=NC3=CC=CC=C32)[NH3+]

Isomeric SMILES

CCC(C)(C)[C@H]1CC[C@@H]([C@H](C1)N2C=NC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C18H27N3/c1-4-18(2,3)13-9-10-14(19)17(11-13)21-12-20-15-7-5-6-8-16(15)21/h5-8,12-14,17H,4,9-11,19H2,1-3H3/p+1/t13-,14-,17-/m0/s1