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

Systemtic Name: (3S)-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3)C

InChI

InChI=1S/C22H34N4O/c1-18(2)8-13-25-14-9-21(10-15-25)26-12-5-6-19(17-26)22(27)24-16-20-7-3-4-11-23-20/h3-4,7-8,11,19,21H,5-6,9-10,12-17H2,1-2H3,(H,24,27)/p+2/t19-/m0/s1