3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-(3-cyclohexyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)ammonium Formula: C16H23N5S+2 MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4S3

InChI

InChI=1S/C16H21N5S/c1-2-6-12(7-3-1)21-10-17-15(18-11-21)20-16-19-13-8-4-5-9-14(13)22-16/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,17,18,19,20)/p+2