(1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexan-1-amine

Systemtic Name: (1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexan-1-amine Openeye Name: (1S,2S,4R)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-4-phenyl-cyclohexanamine CAS Name: (1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)-1-cyclohexanamine IUPAC Name: (1S,2S,4R)-4-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)cyclohexan-1-amine Traditional Name: [(1S,2S,4R)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-4-phenyl-cyclohexyl]amine Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)C2CC(CCC2N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=[N+](C=CN1)[C@H]2C[C@@H](CC[C@@H]2N)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+1/t15-,16+,17+/m1/s1