1,3-benzodioxol-5-ylmethyl-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C21H23N3O4/c1-24(11-14-6-9-18-19(10-14)28-13-27-18)12-20(25)23-17-5-3-2-4-16(17)21(26)22-15-7-8-15/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,22,26)(H,23,25)/p+1