1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O4/c26-20(19-6-8-21-22(16-19)29-15-14-28-21)7-9-23(27)25-12-10-24(11-13-25)17-18-4-2-1-3-5-18/h1-6,8,16H,7,9-15,17H2/p+1