(4-dimethylaminophenyl)methyl-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]ammonium Formula: C26H35N2+ MolecularWeight: 375.5695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH2+]CC23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH2+]CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C26H34N2/c1-28(2)24-10-8-20(9-11-24)17-27-19-25-13-21-12-22(14-25)16-26(15-21,18-25)23-6-4-3-5-7-23/h3-11,21-22,27H,12-19H2,1-2H3/p+1/t21-,22+,25?,26?