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

Systemtic Name: 1-(4-chlorophenyl)-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(4-chlorophenyl)piperazin-1-ium CAS Name: 1-(4-chlorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-chlorophenyl)piperazin-1-ium Formula: C25H28ClN2O2+ MolecularWeight: 423.95502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2O2/c1-29-24-12-7-21(17-25(24)30-19-20-5-3-2-4-6-20)18-27-13-15-28(16-14-27)23-10-8-22(26)9-11-23/h2-12,17H,13-16,18-19H2,1H3/p+1