[(2S)-2-(benzotriazol-1-yl)thiomorpholin-4-ium-2-yl]-(4-methylphenyl)methanone

Systemtic Name: [(2S)-2-(benzotriazol-1-yl)thiomorpholin-4-ium-2-yl]-(4-methylphenyl)methanone Openeye Name: [(2S)-2-(benzotriazol-1-yl)thiomorpholin-4-ium-2-yl]-(p-tolyl)methanone CAS Name: [(2S)-2-(1-benzotriazolyl)-2-thiomorpholin-4-iumyl]-(4-methylphenyl)methanone IUPAC Name: [(2S)-2-(benzotriazol-1-yl)thiomorpholin-4-ium-2-yl]-(4-methylphenyl)methanone Traditional Name: [(2S)-2-(benzotriazol-1-yl)thiomorpholin-4-ium-2-yl]-(p-tolyl)methanone Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(C[NH2+]CCS2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@]2(C[NH2+]CCS2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N4OS/c1-13-6-8-14(9-7-13)17(23)18(12-19-10-11-24-18)22-16-5-3-2-4-15(16)20-21-22/h2-9,19H,10-12H2,1H3/p+1/t18-/m0/s1