(E)-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]but-2-enamide

Systemtic Name: (E)-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]but-2-enamide Openeye Name: (E)-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]but-2-enamide CAS Name: (E)-2-methyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-butenamide IUPAC Name: (E)-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]but-2-enamide Traditional Name: (E)-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]but-2-enamide Formula: C16H31N3O+2 MolecularWeight: 281.43684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)NC1CCC[NH+](C1)C2CC[NH+](CC2)C

Isomeric SMILES

C/C=C(\C)/C(=O)N[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)C

InChI

InChI=1S/C16H29N3O/c1-4-13(2)16(20)17-14-6-5-9-19(12-14)15-7-10-18(3)11-8-15/h4,14-15H,5-12H2,1-3H3,(H,17,20)/p+2/b13-4+/t14-/m0/s1