[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-5-ethoxy-phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-5-ethoxy-phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-chloro-5-ethoxy-phenyl]methyl-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-chloro-5-ethoxyphenyl]methyl-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-chloro-5-ethoxyphenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-chloro-5-ethoxy-benzyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C18H28ClN2O3+ MolecularWeight: 355.87952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]C2CCCCC2C)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+][C@H]2CCCC[C@@H]2C)Cl)OCC(=O)N

InChI

InChI=1S/C18H27ClN2O3/c1-3-23-16-8-13(10-21-15-7-5-4-6-12(15)2)14(19)9-17(16)24-11-18(20)22/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H2,20,22)/p+1/t12-,15-/m0/s1