(3S)-1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-methyl-4-piperidyl)-N-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidinyl)-N-[3-(methylthio)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-methyl-4-piperidyl)-N-[3-(methylthio)propyl]piperidin-1-ium-3-carboxamide Formula: C16H32N3OS+ MolecularWeight: 314.50978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCCSC

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCCSC

InChI

InChI=1S/C16H31N3OS/c1-18-10-6-15(7-11-18)19-9-3-5-14(13-19)16(20)17-8-4-12-21-2/h14-15H,3-13H2,1-2H3,(H,17,20)/p+1/t14-/m0/s1