(3,5-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethoxyphenyl)-[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]-(3,5-dimethoxyphenyl)methanone CAS Name: (3,5-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[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]-(3,5-dimethoxyphenyl)methanone Formula: C28H33N2O5+ MolecularWeight: 477.57202

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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)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-32-24-16-23(17-25(18-24)33-2)28(31)30-13-11-29(12-14-30)19-22-9-10-26(34-3)27(15-22)35-20-21-7-5-4-6-8-21/h4-10,15-18H,11-14,19-20H2,1-3H3/p+1