(2S)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,6-dichloro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,6-dichloro-3-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-dichloro-3-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,6-dichloro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H20Cl2N3O+ MolecularWeight: 317.2341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2N3O/c1-9-3-4-11(15)13(12(9)16)18-14(20)10(2)19-7-5-17-6-8-19/h3-4,10,17H,5-8H2,1-2H3,(H,18,20)/p+1/t10-/m0/s1