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

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H27N5O/c1-14-18(15(2)22(4)21-14)20-19(25)16(3)23-10-12-24(13-11-23)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3,(H,20,25)/p+1/t16-/m0/s1