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dimethyl-[3-[(2-nitro-1-benzothiophen-3-yl)amino]propyl]azanium

dimethyl-[3-[(2-nitro-1-benzothiophen-3-yl)amino]propyl]azanium

Systemtic Name:dimethyl-[3-[(2-nitro-1-benzothiophen-3-yl)amino]propyl]azanium
Openeye Name:dimethyl-[3-[(2-nitrobenzothiophen-3-yl)amino]propyl]ammonium
CAS Name:dimethyl-[3-[(2-nitro-1-benzothiophen-3-yl)amino]propyl]ammonium
IUPAC Name:dimethyl-[3-[(2-nitro-1-benzothiophen-3-yl)amino]propyl]azanium
Traditional Name:dimethyl-[3-[(2-nitrobenzothiophen-3-yl)amino]propyl]ammonium
Formula: C13H18N3O2S+
MolecularWeight: 280.36592
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(SC2=CC=CC=C21)[N+](=O)[O-]


Isomeric SMILES

C[NH+](C)CCCNC1=C(SC2=CC=CC=C21)[N+](=O)[O-]


InChI

InChI=1S/C13H17N3O2S/c1-15(2)9-5-8-14-12-10-6-3-4-7-11(10)19-13(12)16(17)18/h3-4,6-7,14H,5,8-9H2,1-2H3/p+1


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