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

Systemtic Name: [4-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[3-(4-chlorophenoxy)-2-hydroxypropyl]-4-methyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[3-(4-chlorophenoxy)-2-hydroxypropyl]-4-methylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN2O3/c1-24(15-19(25)16-27-20-9-7-18(22)8-10-20)13-11-23(12-14-24)21(26)17-5-3-2-4-6-17/h2-10,19,25H,11-16H2,1H3/q+1