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butyl-[(5-nitrothiophen-2-yl)methyl]-(phenylmethyl)azanium

butyl-[(5-nitrothiophen-2-yl)methyl]-(phenylmethyl)azanium

Systemtic Name:butyl-[(5-nitrothiophen-2-yl)methyl]-(phenylmethyl)azanium
Openeye Name:benzyl-butyl-[(5-nitro-2-thienyl)methyl]ammonium
CAS Name:butyl-[(5-nitro-2-thiophenyl)methyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-butyl-[(5-nitrothiophen-2-yl)methyl]azanium
Traditional Name:benzyl-butyl-[(5-nitro-2-thienyl)methyl]ammonium
Formula: C16H21N2O2S+
MolecularWeight: 305.41514
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(S2)[N+](=O)[O-]


Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(S2)[N+](=O)[O-]


InChI

InChI=1S/C16H20N2O2S/c1-2-3-11-17(12-14-7-5-4-6-8-14)13-15-9-10-16(21-15)18(19)20/h4-10H,2-3,11-13H2,1H3/p+1


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