1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C19H26N3O3+3 MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=C[NH+]=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=C[NH+]=CC=C4

InChI

InChI=1S/C19H23N3O3/c1-23-17-9-16(10-18-19(17)25-14-24-18)13-22-7-5-21(6-8-22)12-15-3-2-4-20-11-15/h2-4,9-11H,5-8,12-14H2,1H3/p+3