[(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylazanium

Systemtic Name: [(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylazanium Openeye Name: [(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylammonium CAS Name: [(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylammonium IUPAC Name: [(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylazanium Traditional Name: [(5S,7R)-3-(4-bromophenyl)-1-adamantyl]methylammonium Formula: C17H23BrN+ MolecularWeight: 321.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)C[NH3+]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)Br)C[NH3+]

InChI

InChI=1S/C17H22BrN/c18-15-3-1-14(2-4-15)17-8-12-5-13(9-17)7-16(6-12,10-17)11-19/h1-4,12-13H,5-11,19H2/p+1/t12-,13+,16?,17?