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

Systemtic Name: (3-bromophenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (3-bromophenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (3-bromophenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (3-bromophenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (3-bromobenzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C19H27BrN+ MolecularWeight: 349.32838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrN/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)21-10-14-4-3-5-16(20)6-14/h3-6,15,21H,7-13H2,1-2H3/p+1/t15?,17-,18+,19?