N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

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