2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-4-pyrazolyl)methyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N(CC3=CN(N=C3)C)C(C)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(CC3=CN(N=C3)C)C(C)C

InChI

InChI=1S/C20H29N5O3/c1-14(2)25(12-16-10-22-23(4)11-16)19(26)9-18-20(27)21-7-8-24(18)13-17-6-5-15(3)28-17/h5-6,10-11,14,18H,7-9,12-13H2,1-4H3,(H,21,27)/p+1/t18-/m1/s1