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(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium

(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium

Systemtic Name:(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
Openeye Name:(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium
CAS Name:(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium
IUPAC Name:(3,4-dimethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
Traditional Name:[(3S,5R)-3,5-dimethyl-1-adamantyl]-veratryl-ammonium
Formula: C21H32NO2+
MolecularWeight: 330.48428
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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C=C4)OC)OC)C


Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C=C4)OC)OC)C


InChI

InChI=1S/C21H31NO2/c1-19-8-16-9-20(2,12-19)14-21(10-16,13-19)22-11-15-5-6-17(23-3)18(7-15)24-4/h5-7,16,22H,8-14H2,1-4H3/p+1/t16?,19-,20+,21?


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