N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-(2-methylallyl)-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-(2-methylallyl)-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C18H27N3O/c1-4-21(13-15(2)3)18(22)17-7-10-20(11-8-17)14-16-6-5-9-19-12-16/h5-6,9,12,17H,2,4,7-8,10-11,13-14H2,1,3H3/p+1