[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)OCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3O3S/c1-12(20)22-11-16(21)19-8-6-18(7-9-19)10-15-17-13-4-2-3-5-14(13)23-15/h2-5H,6-11H2,1H3/p+1