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

Systemtic Name: (3,5-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-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=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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