(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-13-12-16(19-23-13)18-17(22)14(2)20-8-10-21(11-9-20)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3,(H,18,19,22)/p+1/t14-/m0/s1