(2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O4/c1-25-18-8-9-19(20(16-18)26-2)21(24)23-12-10-22(11-13-23)14-15-27-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3/p+1