(E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxyphenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxyphenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C24H26N3O2S+ MolecularWeight: 420.54714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H25N3O2S/c1-2-17-29-20-10-7-19(8-11-20)9-12-24(28)27-15-13-26(14-16-27)18-23-25-21-5-3-4-6-22(21)30-23/h2-12H,1,13-18H2/p+1/b12-9+