N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-1,3,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)N(CC[NH+]2CCOCC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N(CC[NH+]2CCOCC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H28N4O4/c1-15-19(16(2)23(3)22-15)21(26)25(8-7-24-9-11-27-12-10-24)13-17-5-4-6-18-20(17)29-14-28-18/h4-6H,7-14H2,1-3H3/p+1