1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H28N6O3/c1-17-20(22(30)24-8-4-10-28-11-13-32-14-12-28)16-26-29(17)23-25-9-7-21(27-23)18-5-3-6-19(15-18)31-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,24,30)/p+1