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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CNN=C1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CNN=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-25(12-9-18-15-23-24-16-18)20(27)14-19-21(28)22-10-13-26(19)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,15-16,19H,5,8-14H2,1H3,(H,22,28)(H,23,24)/p+1/t19-/m1/s1