1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-24-19-14-21(26-3)20(25-2)13-18(19)16-23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3/p+2