1-adamantylmethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl]ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2/c1-14(20(24)23-18-5-3-4-6-19(18)25-2)22-13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17,22H,7-13H2,1-2H3,(H,23,24)/p+1/t14-,15?,16?,17?,21?/m1/s1