N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-methylsulfanyl-propanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-methylsulfanyl-propanamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-(methylthio)propanamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-methylsulfanylpropanamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(methylthio)propionamide Formula: C15H31N3OS+2 MolecularWeight: 301.49114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCSC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCSC

InChI

InChI=1S/C15H29N3OS/c1-17-9-5-14(6-10-17)18-8-3-4-13(12-18)16-15(19)7-11-20-2/h13-14H,3-12H2,1-2H3,(H,16,19)/p+2/t13-/m0/s1