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1-adamantyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate

1-adamantyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate

Systemtic Name:1-adamantyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate
Openeye Name:1-adamantyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate
CAS Name:2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester
IUPAC Name:1-adamantyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate
Traditional Name:2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid 1-adamantyl ester
Formula: C18H23N2O3+
MolecularWeight: 315.38682
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C[N+]4=CC=CC(=C4)C(=O)N


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C[N+]4=CC=CC(=C4)C(=O)N


InChI

InChI=1S/C18H22N2O3/c19-17(22)15-2-1-3-20(10-15)11-16(21)23-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10,12-14H,4-9,11H2,(H-,19,22)/p+1


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