(2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-propylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-propylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-(4-propylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-(4-propyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-(4-propylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-(4-propylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2/c1-4-7-19-8-10-20(11-9-19)17(21)14(3)22-16-12-13(2)5-6-15(16)18/h5-6,12,14H,4,7-11H2,1-3H3/p+1/t14-/m0/s1