N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(4-benzylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C22H27N3O2S/c23-21(26)16-28-20-9-5-4-8-19(20)24-22(27)15-25-12-10-18(11-13-25)14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H2,23,26)(H,24,27)/p+1