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

Systemtic Name: 1-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(E)-4-methyl-1-oxopent-2-enyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)/C=C/C(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C23H34N4O2/c1-18(2)6-7-22(28)27-15-10-21(11-16-27)26-13-8-19(9-14-26)23(29)25-17-20-5-3-4-12-24-20/h3-7,12,18-19,21H,8-11,13-17H2,1-2H3,(H,25,29)/p+1/b7-6+