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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)OC)OC

InChI

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