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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(dibenzylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(dibenzylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(dibenzylamino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-26(15-22-12-13-23-24(14-22)30-19-29-23)18-25(28)27(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-14H,15-19H2,1H3/p+1