N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(2-methylprop-2-enylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(2-methylprop-2-enylamino)pyridin-1-ium-3-carboxamide Openeye Name: 6-(2-methylallylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(2-methylprop-2-enylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(2-methylprop-2-enylamino)pyridin-1-ium-3-carboxamide Traditional Name: 6-(2-methylallylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)NCCC2CCCC[NH+]2C

Isomeric SMILES

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)NCC[C@@H]2CCCC[NH+]2C

InChI

InChI=1S/C18H28N4O/c1-14(2)12-20-17-8-7-15(13-21-17)18(23)19-10-9-16-6-4-5-11-22(16)3/h7-8,13,16H,1,4-6,9-12H2,2-3H3,(H,19,23)(H,20,21)/p+2/t16-/m0/s1