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1-adamantyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

1-adamantyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name:1-adamantyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium
Openeye Name:1-adamantyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]ammonium
CAS Name:1-adamantyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]ammonium
IUPAC Name:1-adamantyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]azanium
Traditional Name:1-adamantyl-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]ammonium
Formula: C21H31N2O+
MolecularWeight: 327.48364
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C


Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C


InChI

InChI=1S/C21H30N2O/c1-3-18-6-4-5-14(2)20(18)23-19(24)13-22-21-10-15-7-16(11-21)9-17(8-15)12-21/h4-6,15-17,22H,3,7-13H2,1-2H3,(H,23,24)/p+1


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