2-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-ethoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-ethoxy-benzyl]ammonium Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N

InChI

InChI=1S/C21H29ClN2O3/c1-2-26-18-9-14(8-17(22)21(18)27-11-19(23)25)10-24-20-15-4-12-3-13(6-15)7-16(20)5-12/h8-9,12-13,15-16,20,24H,2-7,10-11H2,1H3,(H2,23,25)/p+1