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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-3-30-20-10-8-18(16-21(20)29-2)9-11-24(28)27-14-12-26(13-15-27)17-23-25-19-6-4-5-7-22(19)31-23/h4-11,16H,3,12-15,17H2,1-2H3/p+1/b11-9+