(3R)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-25(15-18-10-12-21(29-2)13-11-18)22(27)17-26-14-6-7-19(16-26)23(28)24-20-8-4-3-5-9-20/h3-5,8-13,19H,6-7,14-17H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1