1,3-benzodioxol-5-ylmethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-cyclopentyl-3-pyrazolyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-keto-propyl]-methyl-piperonyl-ammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O3/c1-23(13-15-6-7-17-18(12-15)27-14-26-17)11-9-20(25)22-19-8-10-21-24(19)16-4-2-3-5-16/h6-8,10,12,16H,2-5,9,11,13-14H2,1H3,(H,22,25)/p+1