(2S)-N-(4-bromanyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-bromanyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-bromo-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-bromo-3-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-bromo-3-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-bromo-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H21BrN3O+ MolecularWeight: 327.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O/c1-10-9-12(3-4-13(10)15)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1