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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrN3O/c1-15-8-9-19(18(21)14-15)22-20(25)16(2)23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1