[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: (4-phenylphenyl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-30-24-13-8-20(18-25(24)31-2)19-27-14-16-28(17-15-27)26(29)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,18H,14-17,19H2,1-2H3/p+1