[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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