[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C[NH2+]CC3=C([NH+]=CC=C3)N4CCCCCCC4)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C[NH2+]CC3=C([NH+]=CC=C3)N4CCCCCCC4)OCO2

InChI

InChI=1S/C22H29N3O3/c1-26-19-13-21-20(27-16-28-21)12-18(19)15-23-14-17-8-7-9-24-22(17)25-10-5-3-2-4-6-11-25/h7-9,12-13,23H,2-6,10-11,14-16H2,1H3/p+2