N-(1,3-benzodioxol-5-yl)-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C25H28N5O4+ MolecularWeight: 462.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O4/c1-17-13-23(30(28-17)20-5-3-2-4-6-20)27-24(31)15-29-11-9-18(10-12-29)25(32)26-19-7-8-21-22(14-19)34-16-33-21/h2-8,13-14,18H,9-12,15-16H2,1H3,(H,26,32)(H,27,31)/p+1