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

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C17H26BrN2O+ MolecularWeight: 354.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCCCCCC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCCCCC2)Br

InChI

InChI=1S/C17H25BrN2O/c1-13-8-9-16(15(18)12-13)19-17(21)14(2)20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1