N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(3-ethylisoxazol-5-yl)methyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(3-ethyl-5-isoxazolyl)methyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(3-ethylisoxazol-5-yl)methyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H38N4O2+2 MolecularWeight: 426.59482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H36N4O2/c1-3-22-16-24(31-27-22)17-26-25(30)20-8-14-29(15-9-20)23-10-12-28(13-11-23)18-21-7-5-4-6-19(21)2/h4-7,16,20,23H,3,8-15,17-18H2,1-2H3,(H,26,30)/p+2