(2R)-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-methyl-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Formula: C18H32N5O+3 MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCCC[NH+]3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)[C@H]3CCCC[NH+]3C

InChI

InChI=1S/C18H29N5O/c1-21-10-12-23(13-11-21)17-15(6-5-8-19-17)14-20-18(24)16-7-3-4-9-22(16)2/h5-6,8,16H,3-4,7,9-14H2,1-2H3,(H,20,24)/p+3/t16-/m1/s1