[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O/c1-15-4-6-17(7-5-15)14-24(3)16(2)21(25)23-22-11-18-8-19(12-22)10-20(9-18)13-22/h4-7,16,18-20H,8-14H2,1-3H3,(H,23,25)/p+1/t16-,18?,19?,20?,22?/m1/s1