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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

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