dimethyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[2-oxo-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]ammonium CAS Name: dimethyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]-dimethyl-ammonium Formula: C21H30NO+ MolecularWeight: 312.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)C[NH+](C)C

InChI

InChI=1S/C21H29NO/c1-15-4-6-18(7-5-15)20-9-16-8-17(10-20)12-21(11-16,14-20)19(23)13-22(2)3/h4-7,16-17H,8-14H2,1-3H3/p+1/t16-,17+,20?,21?