(4-aminocarbonyl-2-nitro-phenyl)methyl-[(5-bromanylthiophen-2-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-[(5-bromanylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[(4-carbamoyl-2-nitro-phenyl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(4-carbamoyl-2-nitrophenyl)methyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(4-carbamoyl-2-nitrophenyl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-(4-carbamoyl-2-nitro-benzyl)ammonium Formula: C16H17BrN3O3S+ MolecularWeight: 411.29348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O3S/c1-2-7-19(10-13-5-6-15(17)24-13)9-12-4-3-11(16(18)21)8-14(12)20(22)23/h2-6,8H,1,7,9-10H2,(H2,18,21)/p+1