(2S)-N-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-bromophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-bromophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Br)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18BrN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)/p+1/t10-/m0/s1