1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C24H35N2O5+ MolecularWeight: 431.5451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC)OC

InChI

InChI=1S/C24H34N2O5/c1-6-31-21-13-18(7-8-20(21)27-2)16-25-9-11-26(12-10-25)17-19-14-22(28-3)24(30-5)23(15-19)29-4/h7-8,13-15H,6,9-12,16-17H2,1-5H3/p+1