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

Systemtic Name: (2S)-N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,6-dibromo-4-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,6-dibromo-4-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-dibromo-4-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,6-dibromo-4-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H20Br2N3O+ MolecularWeight: 406.1361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Br2N3O/c1-9-7-11(15)13(12(16)8-9)18-14(20)10(2)19-5-3-17-4-6-19/h7-8,10,17H,3-6H2,1-2H3,(H,18,20)/p+1/t10-/m0/s1