dimethyl-[[(1R,2R)-2-[(phenylmethyl)azaniumyl]cyclohexyl]methyl]azanium

Systemtic Name: dimethyl-[[(1R,2R)-2-[(phenylmethyl)azaniumyl]cyclohexyl]methyl]azanium Openeye Name: [(1R,2R)-2-(benzylammonio)cyclohexyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[(1R,2R)-2-[(phenylmethyl)ammonio]cyclohexyl]methyl]ammonium IUPAC Name: [(1R,2R)-2-(benzylazaniumyl)cyclohexyl]methyl-dimethylazanium Traditional Name: [(1R,2R)-2-(benzylammonio)cyclohexyl]methyl-dimethyl-ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1CCCCC1[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)C[C@H]1CCCC[C@H]1[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-18(2)13-15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,6-7,10-13H2,1-2H3/p+2/t15-,16-/m1/s1