N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCCC2)CC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCCC2)CC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H28N4O3/c1-16-13-18(23(2)22-16)21(26)25(10-9-24-7-3-4-8-24)15-17-5-6-19-20(14-17)28-12-11-27-19/h5-6,13-14H,3-4,7-12,15H2,1-2H3/p+1