4-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O2S/c1-19(28)7-8-20-9-11-21(12-10-20)29-18-4-13-26-14-16-27(17-15-26)24-22-5-2-3-6-23(22)30-25-24/h2-3,5-6,9-12H,4,7-8,13-18H2,1H3/p+1