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

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide Openeye Name: 6-(allylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(prop-2-enylamino)-3-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide Traditional Name: 6-(allylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NCC=C

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NCC=C

InChI

InChI=1S/C17H26N4O/c1-3-10-18-16-8-7-14(13-20-16)17(22)19-11-9-15-6-4-5-12-21(15)2/h3,7-8,13,15H,1,4-6,9-12H2,2H3,(H,18,20)(H,19,22)/p+1/t15-/m0/s1