(2S)-2-[4-(4-chlorophenyl)carbonylphenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(4-chlorophenyl)carbonylphenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-[4-(4-chlorobenzoyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-[4-(4-chlorobenzoyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-[4-(4-chlorobenzoyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-3-24-12-14-25(15-13-24)22(27)16(2)28-20-10-6-18(7-11-20)21(26)17-4-8-19(23)9-5-17/h4-11,16H,3,12-15H2,1-2H3/p+1/t16-/m0/s1