1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]butoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]butoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]butoxy]-3-methoxy-phenyl]ethanone Formula: C24H30N3O3S+ MolecularWeight: 440.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C24H29N3O3S/c1-18(28)19-9-10-21(22(17-19)29-2)30-16-6-5-11-26-12-14-27(15-13-26)24-20-7-3-4-8-23(20)31-25-24/h3-4,7-10,17H,5-6,11-16H2,1-2H3/p+1