[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl] ethanoate

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl] ethanoate Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl] acetate CAS Name: acetic acid [4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl] ester Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-15(24)28-18-5-3-17(4-6-18)21(25)23-10-8-22(9-11-23)13-16-2-7-19-20(12-16)27-14-26-19/h2-7,12H,8-11,13-14H2,1H3/p+1