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

Systemtic Name: (3-chlorophenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: (3-chlorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Formula: C26H28ClN2O3+ MolecularWeight: 451.96512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O3/c1-31-24-11-10-21(16-25(24)32-19-20-6-3-2-4-7-20)18-28-12-14-29(15-13-28)26(30)22-8-5-9-23(27)17-22/h2-11,16-17H,12-15,18-19H2,1H3/p+1