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(phenylmethyl)-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium

(phenylmethyl)-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium

Systemtic Name:(phenylmethyl)-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium
Openeye Name:benzyl-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium
CAS Name:(phenylmethyl)-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium
IUPAC Name:benzyl-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium
Traditional Name:benzyl-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium
Formula: C21H32N+
MolecularWeight: 298.48548
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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C[NH2+]CC4=CC=CC=C4)C)C


Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C[NH2+]CC4=CC=CC=C4)C)C


InChI

InChI=1S/C21H31N/c1-18-10-19(2)12-20(3,11-18)15-21(13-18,14-19)16-22-9-17-7-5-4-6-8-17/h4-8,22H,9-16H2,1-3H3/p+1


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