(2S)-2-(2-chloranylphenoxy)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: (2S)-2-(2-chloranylphenoxy)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2S)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(2-chlorophenoxy)propanamide CAS Name: (2S)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(2-chlorophenoxy)propanamide IUPAC Name: (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(2-chlorophenoxy)propanamide Traditional Name: (2S)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(2-chlorophenoxy)propionamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16(29-20-10-6-5-9-19(20)23)22(28)25-18-11-13-26(14-12-18)15-21(27)24-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,24,27)(H,25,28)/p+1/t16-/m0/s1