3,5-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC(C)(C)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC(C)(C)[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O2/c1-16-19(17(2)25(23-16)14-18-8-6-5-7-9-18)20(26)22-15-21(3,4)24-10-12-27-13-11-24/h5-9H,10-15H2,1-4H3,(H,22,26)/p+1