N-ethyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN(N=C1)C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC1=CN(N=C1)C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3C

InChI

InChI=1S/C21H29N5O2/c1-4-25(14-17-12-23-24(3)13-17)20(27)11-19-21(28)22-9-10-26(19)15-18-8-6-5-7-16(18)2/h5-8,12-13,19H,4,9-11,14-15H2,1-3H3,(H,22,28)/p+1/t19-/m1/s1