methyl-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-anilino-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-anilino-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H29N3O/c1-18(22(26)23-20-12-5-3-6-13-20)24(2)17-19-11-7-8-14-21(19)25-15-9-4-10-16-25/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1