(2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methyl-pentanamide

Systemtic Name: (2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methyl-pentanamide Openeye Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methyl-pentanamide CAS Name: (2S)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-methylpentanamide IUPAC Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylpentanamide Traditional Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methyl-valeramide Formula: C17H27ClN3O+ MolecularWeight: 324.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H26ClN3O/c1-4-5-13(2)17(22)19-15-12-14(18)6-7-16(15)21-10-8-20(3)9-11-21/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22)/p+1/t13-/m0/s1