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

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CN=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+1