4-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Openeye Name: 4-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium CAS Name: 4-(1-benzotriazolylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium IUPAC Name: 4-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Traditional Name: 4-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Formula: C16H17N4S+ MolecularWeight: 297.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C[NH+]1CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CSC2=CC=CC=C2C[NH+]1CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H16N4S/c1-4-8-16-13(5-1)11-19(9-10-21-16)12-20-15-7-3-2-6-14(15)17-18-20/h1-8H,9-12H2/p+1