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4-[(2-adamantylazaniumyl)methyl]benzoate

4-[(2-adamantylazaniumyl)methyl]benzoate

Systemtic Name:4-[(2-adamantylazaniumyl)methyl]benzoate
Openeye Name:4-[(2-adamantylammonio)methyl]benzoate
CAS Name:4-[(2-adamantylammonio)methyl]benzoate
IUPAC Name:4-[(2-adamantylazaniumyl)methyl]benzoate
Traditional Name:4-[(2-adamantylammonio)methyl]benzoate
Formula: C18H23NO2
MolecularWeight: 285.38072
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC=C(C=C4)C(=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC=C(C=C4)C(=O)[O-]


InChI

InChI=1S/C18H23NO2/c20-18(21)14-3-1-11(2-4-14)10-19-17-15-6-12-5-13(8-15)9-16(17)7-12/h1-4,12-13,15-17,19H,5-10H2,(H,20,21)


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