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1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-[2-keto-2-(3-phenylpropylamino)ethyl]-methyl-ammonium
Formula: C20H24N3OS+
MolecularWeight: 354.48906
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCCC3=CC=CC=C3


Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCCC3=CC=CC=C3


InChI

InChI=1S/C20H23N3OS/c1-23(15-20-22-17-11-5-6-12-18(17)25-20)14-19(24)21-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,21,24)/p+1


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