[(1S,3S)-1-(azaniumylmethyl)-3-methyl-cyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(1S,3S)-1-(azaniumylmethyl)-3-methyl-cyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S,3S)-1-(azaniumylmethyl)-3-methyl-cyclohexyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(1S,3S)-1-(ammoniomethyl)-3-methylcyclohexyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(1S,3S)-1-(azaniumylmethyl)-3-methylcyclohexyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S,3S)-1-(ammoniomethyl)-3-methyl-cyclohexyl]-methyl-(4-methylbenzyl)ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C[NH3+])[NH+](C)CC2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CCC[C@](C1)(C[NH3+])[NH+](C)CC2=CC=C(C=C2)C

InChI

InChI=1S/C17H28N2/c1-14-6-8-16(9-7-14)12-19(3)17(13-18)10-4-5-15(2)11-17/h6-9,15H,4-5,10-13,18H2,1-3H3/p+2/t15-,17-/m0/s1