ethyl 2-[4-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(2-amino-1,3-benzothiazol-5-yl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=N3)N

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=N3)N

InChI

InChI=1S/C16H20N4O3S/c1-2-23-14(21)10-19-5-7-20(8-6-19)15(22)11-3-4-13-12(9-11)18-16(17)24-13/h3-4,9H,2,5-8,10H2,1H3,(H2,17,18)/p+1