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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(3-phenylpropyl)-4-veratryl-piperazine-1,4-diium Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-25-21-11-10-20(17-22(21)26-2)18-24-15-13-23(14-16-24)12-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17H,6,9,12-16,18H2,1-2H3/p+2