[(1R,2S,4R)-2-(azepan-1-ium-1-yl)-4-phenyl-cyclohexyl]azanium

Systemtic Name: [(1R,2S,4R)-2-(azepan-1-ium-1-yl)-4-phenyl-cyclohexyl]azanium Openeye Name: [(1R,2S,4R)-2-(azepan-1-ium-1-yl)-4-phenyl-cyclohexyl]ammonium CAS Name: [(1R,2S,4R)-2-(1-azepan-1-iumyl)-4-phenylcyclohexyl]ammonium IUPAC Name: [(1R,2S,4R)-2-(azepan-1-ium-1-yl)-4-phenylcyclohexyl]azanium Traditional Name: [(1R,2S,4R)-2-(azepan-1-ium-1-yl)-4-phenyl-cyclohexyl]ammonium Formula: C18H30N2+2 MolecularWeight: 274.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC(CCC2[NH3+])C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H]2C[C@@H](CC[C@H]2[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c19-17-11-10-16(15-8-4-3-5-9-15)14-18(17)20-12-6-1-2-7-13-20/h3-5,8-9,16-18H,1-2,6-7,10-14,19H2/p+2/t16-,17-,18+/m1/s1