(E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C17H26N5O2+ MolecularWeight: 332.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C17H25N5O2/c1-19-13-15(12-18-19)4-5-16(23)22-10-8-20(9-11-22)14-17(24)21-6-2-3-7-21/h4-5,12-13H,2-3,6-11,14H2,1H3/p+1/b5-4+