(2S)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-phenoxy-butanamide

Systemtic Name: (2S)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-phenoxy-butanamide Openeye Name: (2S)-N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-phenoxy-butanamide CAS Name: (2S)-N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-phenoxybutanamide IUPAC Name: (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-phenoxybutanamide Traditional Name: (2S)-N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-phenoxy-butyramide Formula: C17H26N3O3+ MolecularWeight: 320.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CC[NH+](CC1)CC(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C(=O)NC1CC[NH+](CC1)CC(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-2-15(23-14-6-4-3-5-7-14)17(22)19-13-8-10-20(11-9-13)12-16(18)21/h3-7,13,15H,2,8-12H2,1H3,(H2,18,21)(H,19,22)/p+1/t15-/m0/s1