(3S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2CCC[NH+](C2)C

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C17H28N4O/c1-4-21(5-2)16-14(8-6-10-18-16)12-19-17(22)15-9-7-11-20(3)13-15/h6,8,10,15H,4-5,7,9,11-13H2,1-3H3,(H,19,22)/p+2/t15-/m0/s1