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

Systemtic Name: [(1S,2S,4R)-4-tert-butyl-2-(2-methylbenzimidazol-1-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-4-tert-butyl-2-(2-methylbenzimidazol-1-yl)cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-tert-butyl-2-(2-methyl-1-benzimidazolyl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-tert-butyl-2-(2-methylbenzimidazol-1-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-4-tert-butyl-2-(2-methylbenzimidazol-1-yl)cyclohexyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C3CC(CCC3[NH3+])C(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1[C@H]3C[C@@H](CC[C@@H]3[NH3+])C(C)(C)C

InChI

InChI=1S/C18H27N3/c1-12-20-15-7-5-6-8-16(15)21(12)17-11-13(18(2,3)4)9-10-14(17)19/h5-8,13-14,17H,9-11,19H2,1-4H3/p+1/t13-,14+,17+/m1/s1