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

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H22N4O3S/c27-21(9-10-26-17-6-2-3-7-18(17)29-22(26)28)25-13-11-24(12-14-25)15-20-23-16-5-1-4-8-19(16)30-20/h1-8H,9-15H2/p+1