[(7S)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]azanium

Systemtic Name: [(7S)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]azanium Openeye Name: [(7S)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]ammonium CAS Name: [(7S)-2-[(phenylthio)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]ammonium IUPAC Name: [(7S)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]azanium Traditional Name: [(7S)-2-[(phenylthio)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]ammonium Formula: C14H17N2S2+ MolecularWeight: 277.42818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N=C(S2)CSC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1C[C@@H](C2=C(C1)N=C(S2)CSC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C14H16N2S2/c15-11-7-4-8-12-14(11)18-13(16-12)9-17-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,15H2/p+1/t11-/m0/s1