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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[3-(methylthio)propanoyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C18H32N3O2S+ MolecularWeight: 354.53058

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3CC3

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3CC3

InChI

InChI=1S/C18H31N3O2S/c1-24-12-8-17(22)20-10-6-16(7-11-20)21-9-2-3-14(13-21)18(23)19-15-4-5-15/h14-16H,2-13H2,1H3,(H,19,23)/p+1/t14-/m0/s1