(2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)C)OC2=C(C=CC(=C2)C)Cl

Isomeric SMILES

CC[C@@H](C(=O)N1CC[NH+](CC1)C)OC2=C(C=CC(=C2)C)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-4-14(16(20)19-9-7-18(3)8-10-19)21-15-11-12(2)5-6-13(15)17/h5-6,11,14H,4,7-10H2,1-3H3/p+1/t14-/m0/s1