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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C24H27N6O4+ MolecularWeight: 463.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC[NH+]6CCOCC6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC[NH+]6CCOCC6

InChI

InChI=1S/C24H26N6O4/c31-23(25-7-8-29-9-11-32-12-10-29)18-14-27-30(22(18)16-1-2-16)24-26-6-5-19(28-24)17-3-4-20-21(13-17)34-15-33-20/h3-6,13-14,16H,1-2,7-12,15H2,(H,25,31)/p+1