N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide Openeye Name: 5-isopropyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]isoxazole-3-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-propan-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide Traditional Name: 5-isopropyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]isoxazole-3-carboxamide Formula: C18H32N4O2+2 MolecularWeight: 336.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NO1)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C18H30N4O2/c1-13(2)17-11-16(20-24-17)18(23)19-14-5-4-8-22(12-14)15-6-9-21(3)10-7-15/h11,13-15H,4-10,12H2,1-3H3,(H,19,23)/p+2/t14-/m0/s1