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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C19H35N3OS+2 MolecularWeight: 353.5657

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)C3CCSCC3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)C3CCSCC3)C(=O)NC4CC4

InChI

InChI=1S/C19H33N3OS/c23-19(20-16-3-4-16)15-2-1-9-22(14-15)17-5-10-21(11-6-17)18-7-12-24-13-8-18/h15-18H,1-14H2,(H,20,23)/p+2/t15-/m0/s1