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3-[(4-bromanylthiophen-2-yl)methylamino]propyl-methyl-(phenylmethyl)azanium

3-[(4-bromanylthiophen-2-yl)methylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name:3-[(4-bromanylthiophen-2-yl)methylamino]propyl-methyl-(phenylmethyl)azanium
Openeye Name:benzyl-[3-[(4-bromo-2-thienyl)methylamino]propyl]-methyl-ammonium
CAS Name:3-[(4-bromo-2-thiophenyl)methylamino]propyl-methyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[3-[(4-bromothiophen-2-yl)methylamino]propyl]-methylazanium
Traditional Name:benzyl-[3-[(4-bromo-2-thienyl)methylamino]propyl]-methyl-ammonium
Formula: C16H22BrN2S+
MolecularWeight: 354.32828
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNCC1=CC(=CS1)Br)CC2=CC=CC=C2


Isomeric SMILES

C[NH+](CCCNCC1=CC(=CS1)Br)CC2=CC=CC=C2


InChI

InChI=1S/C16H21BrN2S/c1-19(12-14-6-3-2-4-7-14)9-5-8-18-11-16-10-15(17)13-20-16/h2-4,6-7,10,13,18H,5,8-9,11-12H2,1H3/p+1


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