1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-methylbut-2-enoyl)-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(3-methyl-1-oxobut-2-enyl)-4-piperidinyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-methylbut-2-enoyl)-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CC(=CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C22H32N4O2/c1-17(2)14-21(27)26-12-7-20(8-13-26)25-10-5-19(6-11-25)22(28)24-16-18-4-3-9-23-15-18/h3-4,9,14-15,19-20H,5-8,10-13,16H2,1-2H3,(H,24,28)/p+1