(3S)-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-[3-(methylthio)propanoyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-28-15-11-21(26)24-13-9-20(10-14-24)25-12-5-8-19(17-25)22(27)23-16-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1