1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Formula: C24H29N6O4+ MolecularWeight: 465.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCC(C)(C)[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCC(C)(C)[NH+]5CCOCC5

InChI

InChI=1S/C24H28N6O4/c1-16-18(22(31)26-14-24(2,3)29-8-10-32-11-9-29)13-27-30(16)23-25-7-6-19(28-23)17-4-5-20-21(12-17)34-15-33-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,31)/p+1