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1,3-benzothiazol-2-ylmethyl-(diphenylmethyl)azanium

1,3-benzothiazol-2-ylmethyl-(diphenylmethyl)azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-(diphenylmethyl)azanium
Openeye Name:benzhydryl(1,3-benzothiazol-2-ylmethyl)ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-(diphenylmethyl)ammonium
IUPAC Name:benzhydryl(1,3-benzothiazol-2-ylmethyl)azanium
Traditional Name:benzhydryl(1,3-benzothiazol-2-ylmethyl)ammonium
Formula: C21H19N2S+
MolecularWeight: 331.45396
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C21H18N2S/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)22-15-20-23-18-13-7-8-14-19(18)24-20/h1-14,21-22H,15H2/p+1


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