N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1,5-dimethyl-3-pyrazolyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1C)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-16-13-18(24-25(16)2)15-23-20(27)14-19-21(28)22-10-12-26(19)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,22,28)(H,23,27)/p+1/t19-/m1/s1