1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-phenylpropyl)-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C23H34N2O3+2 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H32N2O3/c1-26-21-17-23(28-3)22(27-2)16-20(21)18-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3/p+2