2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=C(NN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=C(NN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N5O3/c1-17-12-18(8-9-22(17)33-2)16-30-11-10-26-25(32)21(30)13-23(31)27-14-20-15-28-29-24(20)19-6-4-3-5-7-19/h3-9,12,15,21H,10-11,13-14,16H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/p+1/t21-/m1/s1