N-cycloheptyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide

Systemtic Name: N-cycloheptyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N-cycloheptyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N-cycloheptyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N-cycloheptyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N-cycloheptyl-4-keto-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

InChI

InChI=1S/C18H23N3O2S/c22-16(20-12-7-3-1-2-4-8-12)13-11-19-18-21(17(13)23)14-9-5-6-10-15(14)24-18/h11-12H,1-10H2,(H,20,22)/p+1