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

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-2,5-dimethyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4)C

InChI

InChI=1S/C20H26N4O3/c1-15-12-17(22(2)21-15)20(25)24(11-10-23-8-3-4-9-23)13-16-6-5-7-18-19(16)27-14-26-18/h5-7,12H,3-4,8-11,13-14H2,1-2H3/p+1