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

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-[methyl(3-pyridinylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-carboxamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CN=CC=C3

InChI

InChI=1S/C21H29N5O/c1-25-13-4-3-7-19(25)10-12-23-21(27)18-8-9-20(24-15-18)26(2)16-17-6-5-11-22-14-17/h5-6,8-9,11,14-15,19H,3-4,7,10,12-13,16H2,1-2H3,(H,23,27)/p+2/t19-/m0/s1