1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-methoxy-3-methyl-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C21H28N2O3+2 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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