4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C)(C)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C)(C)[NH+]3CCOCC3)C

InChI

InChI=1S/C20H28N4O2/c1-15-13-16(2)24(22-15)18-7-5-17(6-8-18)19(25)21-14-20(3,4)23-9-11-26-12-10-23/h5-8,13H,9-12,14H2,1-4H3,(H,21,25)/p+1