N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Formula: C16H27N3OS+2 MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N3OS/c1-18-9-6-14(7-10-18)19-8-2-4-13(12-19)17-16(20)15-5-3-11-21-15/h3,5,11,13-14H,2,4,6-10,12H2,1H3,(H,17,20)/p+2/t13-/m0/s1