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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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