1-[(4-ethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-ethoxybenzyl)piperazin-4-ium Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c1-3-32-26-12-9-23(10-13-26)20-29-15-17-30(18-16-29)21-25-11-14-27(31-2)28(19-25)33-22-24-7-5-4-6-8-24/h4-14,19H,3,15-18,20-22H2,1-2H3/p+1