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

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-(3-cycloheptyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-(3-cycloheptyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-(3-cycloheptyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-(3-cycloheptyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-(3-cycloheptyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)ammonium Formula: C17H25N5S+2 MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4S3

InChI

InChI=1S/C17H23N5S/c1-2-4-8-13(7-3-1)22-11-18-16(19-12-22)21-17-20-14-9-5-6-10-15(14)23-17/h5-6,9-10,13H,1-4,7-8,11-12H2,(H2,18,19,20,21)/p+2