3-(1,3-benzothiazol-2-ylsulfanyl)propyl-(phenylmethyl)azanium

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-(phenylmethyl)azanium Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-benzyl-ammonium CAS Name: 3-(1,3-benzothiazol-2-ylthio)propyl-(phenylmethyl)ammonium IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-benzylazanium Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-benzyl-ammonium Formula: C17H19N2S2+ MolecularWeight: 315.47616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2S2/c1-2-7-14(8-3-1)13-18-11-6-12-20-17-19-15-9-4-5-10-16(15)21-17/h1-5,7-10,18H,6,11-13H2/p+1