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

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C20H26N2O3+2 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-23-18-11-17(12-19-20(18)25-15-24-19)14-22-9-7-21(8-10-22)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-15H2,1H3/p+2