1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-isopropylbenzyl)-4-piperonyl-piperazine-1,4-diium Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-17(2)20-6-3-18(4-7-20)14-23-9-11-24(12-10-23)15-19-5-8-21-22(13-19)26-16-25-21/h3-8,13,17H,9-12,14-16H2,1-2H3/p+2