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1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]azanium

1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(3-nitrophenyl)methyl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-(3-nitrobenzyl)ammonium
Formula: C15H14N3O2S+
MolecularWeight: 300.35556
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C15H13N3O2S/c19-18(20)12-5-3-4-11(8-12)9-16-10-15-17-13-6-1-2-7-14(13)21-15/h1-8,16H,9-10H2/p+1


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