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1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium

1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name:1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium
Openeye Name:1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]ammonium
CAS Name:1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]ammonium
IUPAC Name:1-adamantyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
Traditional Name:1-adamantyl-[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]ammonium
Formula: C21H29N2O3+
MolecularWeight: 357.46656
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H28N2O3/c1-26-20(25)18-4-2-14(3-5-18)12-22-19(24)13-23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17,23H,6-13H2,1H3,(H,22,24)/p+1


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