2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-25(2)22(27)17-29-21-13-7-6-12-20(21)23(28)24-19-11-8-14-26(16-19)15-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,8,11,14-17H2,1-2H3,(H,24,28)/p+1/t19-/m0/s1