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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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