(2S)-N-(6-phenoxypyridin-3-yl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(6-phenoxypyridin-3-yl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-(6-phenoxy-3-pyridinyl)-1-(1-propyl-4-piperidin-1-iumyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-(6-phenoxypyridin-3-yl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-2-carboxamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O2/c1-2-15-28-17-13-21(14-18-28)29-16-7-6-10-23(29)25(30)27-20-11-12-24(26-19-20)31-22-8-4-3-5-9-22/h3-5,8-9,11-12,19,21,23H,2,6-7,10,13-18H2,1H3,(H,27,30)/p+2/t23-/m0/s1