(2S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-chloro-4,6-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-chloro-4,6-dimethylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-chloro-4,6-dimethylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-chloro-4,6-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H](C)N2CC[NH2+]CC2)C

InChI

InChI=1S/C15H22ClN3O/c1-10-8-11(2)14(13(16)9-10)18-15(20)12(3)19-6-4-17-5-7-19/h8-9,12,17H,4-7H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1