[4-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H29N2O4/c1-24(16-19(25)17-28-21-10-8-20(27-2)9-11-21)14-12-23(13-15-24)22(26)18-6-4-3-5-7-18/h3-11,19,25H,12-17H2,1-2H3/q+1