1-phenyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-phenyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-phenyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-phenyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-phenyl-4-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C24H30N2O5/c1-29-21-11-9-19(23(30-2)24(21)31-3)17-25-13-15-26(16-14-25)22(28)12-10-20(27)18-7-5-4-6-8-18/h4-9,11H,10,12-17H2,1-3H3/p+1