(2S)-3-(4-azanylpiperidin-1-yl)-2-(4-chloranyl-3-methyl-phenoxy)propanal

Systemtic Name: (2S)-3-(4-azanylpiperidin-1-yl)-2-(4-chloranyl-3-methyl-phenoxy)propanal Openeye Name: (2S)-3-(4-amino-1-piperidyl)-2-(4-chloro-3-methyl-phenoxy)propanal CAS Name: (2S)-3-(4-amino-1-piperidinyl)-2-(4-chloro-3-methylphenoxy)propanal IUPAC Name: (2S)-3-(4-aminopiperidin-1-yl)-2-(4-chloro-3-methylphenoxy)propanal Traditional Name: (2S)-3-(4-aminopiperidino)-2-(4-chloro-3-methyl-phenoxy)propionaldehyde Formula: C15H21ClN2O2 MolecularWeight: 296.79244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(CN2CCC(CC2)N)C=O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@@H](CN2CCC(CC2)N)C=O)Cl

InChI

InChI=1S/C15H21ClN2O2/c1-11-8-13(2-3-15(11)16)20-14(10-19)9-18-6-4-12(17)5-7-18/h2-3,8,10,12,14H,4-7,9,17H2,1H3/t14-/m0/s1