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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3/c1-14-8-15(4-5-18(14)28-3)13-25-7-6-21-20(27)17(25)9-19(26)22-10-16-11-23-24(2)12-16/h4-5,8,11-12,17H,6-7,9-10,13H2,1-3H3,(H,21,27)(H,22,26)/p+1/t17-/m1/s1