1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methylbenzyl)piperazine-1,4-diium Formula: C21H28N2O3+2 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C21H26N2O3/c1-16-5-3-4-6-18(16)14-23-9-7-22(8-10-23)13-17-11-19(24-2)21-20(12-17)25-15-26-21/h3-6,11-12H,7-10,13-15H2,1-2H3/p+2