3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-keto-butyl]-1,3-benzoxazol-2-one Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H24N4O3S/c28-22(10-5-11-27-18-7-2-3-8-19(18)30-23(27)29)26-14-12-25(13-15-26)16-21-24-17-6-1-4-9-20(17)31-21/h1-4,6-9H,5,10-16H2/p+1