N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide CAS Name: N-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3OC

InChI

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