[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C16H24N2O2/c1-12-4-2-3-5-15(12)18-10-13-6-8-14(9-7-13)20-11-16(17)19/h6-9,12,15,18H,2-5,10-11H2,1H3,(H2,17,19)/p+1/t12-,15-/m0/s1