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

Systemtic Name: (3S)-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C22H37N3OS+2 MolecularWeight: 391.61368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3OS/c1-27-16-6-12-24-14-10-21(11-15-24)25-13-5-9-20(18-25)22(26)23-17-19-7-3-2-4-8-19/h2-4,7-8,20-21H,5-6,9-18H2,1H3,(H,23,26)/p+2/t20-/m0/s1