N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(3-methylpyridin-4-yl)methylamino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(3-methylpyridin-4-yl)methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(3-methyl-4-pyridyl)methylamino]pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-[(3-methyl-4-pyridinyl)methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(3-methylpyridin-4-yl)methylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(3-methyl-4-pyridyl)methylamino]pyridin-1-ium-3-carboxamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC2=[NH+]C=C(C=C2)C(=O)NCCC3CCCC[NH+]3C

Isomeric SMILES

CC1=C(C=CN=C1)CNC2=[NH+]C=C(C=C2)C(=O)NCC[C@@H]3CCCC[NH+]3C

InChI

InChI=1S/C21H29N5O/c1-16-13-22-10-8-17(16)14-24-20-7-6-18(15-25-20)21(27)23-11-9-19-5-3-4-12-26(19)2/h6-8,10,13,15,19H,3-5,9,11-12,14H2,1-2H3,(H,23,27)(H,24,25)/p+2/t19-/m0/s1