2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 2-piperidin-1-ium-1-ylethanoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N3O4S/c20-15(12-19-9-4-1-5-10-19)23-11-8-17-16-13-6-2-3-7-14(13)24(21,22)18-16/h2-3,6-7H,1,4-5,8-12H2,(H,17,18)/p+1