2-adamantyl-[(3,4-diethoxyphenyl)methyl]azanium

Systemtic Name: 2-adamantyl-[(3,4-diethoxyphenyl)methyl]azanium Openeye Name: 2-adamantyl-[(3,4-diethoxyphenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3,4-diethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3,4-diethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(3,4-diethoxybenzyl)ammonium Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC

InChI

InChI=1S/C21H31NO2/c1-3-23-19-6-5-14(12-20(19)24-4-2)13-22-21-17-8-15-7-16(10-17)11-18(21)9-15/h5-6,12,15-18,21-22H,3-4,7-11,13H2,1-2H3/p+1