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1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methyl-azanium

1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methyl-azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methyl-azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methyl-ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methylammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(4-cyanophenyl)methyl]-methylazanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-(4-cyanobenzyl)-methyl-ammonium
Formula: C17H16N3S+
MolecularWeight: 294.39404
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C#N)CC2=NC3=CC=CC=C3S2


Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C#N)CC2=NC3=CC=CC=C3S2


InChI

InChI=1S/C17H15N3S/c1-20(11-14-8-6-13(10-18)7-9-14)12-17-19-15-4-2-3-5-16(15)21-17/h2-9H,11-12H2,1H3/p+1


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