methyl 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzoate Traditional Name: 4-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]benzoic acid methyl ester Formula: C22H30N2O4+2 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-26-20-9-6-18(14-21(20)27-2)16-24-12-10-23(11-13-24)15-17-4-7-19(8-5-17)22(25)28-3/h4-9,14H,10-13,15-16H2,1-3H3/p+2