(5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]ammonium Formula: C17H19ClN3O3S+ MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-3-10-20(11-13-8-9-16(18)25-13)12(2)17(22)19-14-6-4-5-7-15(14)21(23)24/h3-9,12H,1,10-11H2,2H3,(H,19,22)/p+1/t12-/m1/s1