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

Systemtic Name: [(1S,2R,4S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-cyclohexyl]azanium Openeye Name: [(1S,2R,4S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium CAS Name: [(1S,2R,4S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenylcyclohexyl]ammonium IUPAC Name: [(1S,2R,4S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenylcyclohexyl]azanium Traditional Name: [(1S,2R,4S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2CC(CCC2[NH3+])C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H]2C[C@H](CC[C@@H]2[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H29N3/c1-20-10-5-11-21(13-12-20)18-14-16(8-9-17(18)19)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14,19H2,1H3/p+2/t16-,17-,18+/m0/s1