(E)-3-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methylthiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methyl-4-thiazolyl)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methylthiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c1-16-20-17(15-25-16)7-8-19(23)22-11-9-21(10-12-22)13-14-24-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3/p+1/b8-7+