(4-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(1S)-1-methyl-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]-p-anisyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)[NH2+]CC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)[NH2+]CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)/p+1/t16-,17-/m0/s1