(2,3-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-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]-(2,3-dimethoxyphenyl)methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-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]-(2,3-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=C(C(=CC=C3)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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