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

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3OS/c1-18-8-4-15(5-9-18)19-7-2-3-14(11-19)17-16(20)13-6-10-21-12-13/h6,10,12,14-15H,2-5,7-9,11H2,1H3,(H,17,20)/p+2/t14-/m0/s1