(2S)-2-(3-chloranylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2S)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: (2S)-2-(3-chlorophenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2S)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O2/c1-3-14(20-13-6-4-5-12(16)11-13)15(19)18-9-7-17(2)8-10-18/h4-6,11,14H,3,7-10H2,1-2H3/p+1/t14-/m0/s1