[(1S,2S)-1-(azaniumylmethyl)-2-methyl-cyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(1S,2S)-1-(azaniumylmethyl)-2-methyl-cyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S,2S)-1-(azaniumylmethyl)-2-methyl-cyclohexyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(1S,2S)-1-(ammoniomethyl)-2-methylcyclohexyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(1S,2S)-1-(azaniumylmethyl)-2-methylcyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S,2S)-1-(ammoniomethyl)-2-methyl-cyclohexyl]-methyl-(4-methylbenzyl)ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C[NH3+])[NH+](C)CC2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CCCC[C@]1(C[NH3+])[NH+](C)CC2=CC=C(C=C2)C

InChI

InChI=1S/C17H28N2/c1-14-7-9-16(10-8-14)12-19(3)17(13-18)11-5-4-6-15(17)2/h7-10,15H,4-6,11-13,18H2,1-3H3/p+2/t15-,17+/m0/s1