[3-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethoxy]phenyl]methyl-methyl-(quinolin-8-ylmethyl)azanium

Systemtic Name: [3-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethoxy]phenyl]methyl-methyl-(quinolin-8-ylmethyl)azanium Openeye Name: [3-[2-(1,3-benzodioxole-5-carbonylamino)ethoxy]phenyl]methyl-methyl-(8-quinolylmethyl)ammonium CAS Name: [3-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]ethoxy]phenyl]methyl-methyl-(8-quinolinylmethyl)ammonium IUPAC Name: [3-[2-(1,3-benzodioxole-5-carbonylamino)ethoxy]phenyl]methyl-methyl-(quinolin-8-ylmethyl)azanium Traditional Name: methyl-[3-[2-(piperonyloylamino)ethoxy]benzyl]-(8-quinolylmethyl)ammonium Formula: C28H28N3O4+ MolecularWeight: 470.53962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCCNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OCCNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-31(18-23-7-3-6-21-8-4-12-29-27(21)23)17-20-5-2-9-24(15-20)33-14-13-30-28(32)22-10-11-25-26(16-22)35-19-34-25/h2-12,15-16H,13-14,17-19H2,1H3,(H,30,32)/p+1