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

Systemtic Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamide Openeye Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide CAS Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-methyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide Formula: C18H30N5O2+ MolecularWeight: 348.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCNC(=O)C1CC(=O)N(C)CCC2=CN(N=C2)C)C

Isomeric SMILES

CC(=CC[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CCC2=CN(N=C2)C)C

InChI

InChI=1S/C18H29N5O2/c1-14(2)5-9-23-10-7-19-18(25)16(23)11-17(24)21(3)8-6-15-12-20-22(4)13-15/h5,12-13,16H,6-11H2,1-4H3,(H,19,25)/p+1/t16-/m1/s1