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

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-22(12-15-7-8-17-18(11-15)27-14-26-17)13-20(25)23(10-9-19(21)24)16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H2,21,24)/p+1