[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(5-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(5-methyl-2-oxidanyl-phenyl)methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-hydroxy-5-methylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

InChI

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