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

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(3-pyridylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(3-pyridinylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(3-pyridylmethylamino)pyridin-1-ium-3-carboxamide Formula: C20H29N5O+2 MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=C[NH+]=C(C=C2)NCC3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=C(C=C2)NCC3=CN=CC=C3

InChI

InChI=1S/C20H27N5O/c1-25-12-3-2-6-18(25)9-11-22-20(26)17-7-8-19(24-15-17)23-14-16-5-4-10-21-13-16/h4-5,7-8,10,13,15,18H,2-3,6,9,11-12,14H2,1H3,(H,22,26)(H,23,24)/p+2/t18-/m0/s1