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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O4/c1-30-24-12-11-21(18-25(24)31-2)26(29)28-15-13-27(14-16-28)19-20-7-6-10-23(17-20)32-22-8-4-3-5-9-22/h3-12,17-18H,13-16,19H2,1-2H3/p+1