[(1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-4-phenyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-4-phenyl-cyclohexyl]ammonium Formula: C18H27N3+2 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)C2CC(CCC2[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=[N+](C=CN1)[C@H]2C[C@@H](CC[C@@H]2[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c1-13(2)18-20-10-11-21(18)17-12-15(8-9-16(17)19)14-6-4-3-5-7-14/h3-7,10-11,13,15-17H,8-9,12,19H2,1-2H3/p+2/t15-,16+,17+/m1/s1