(5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]ammonium Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4S/c1-4-9-21(11-14-6-8-17(19)27-14)12(2)18(23)20-15-7-5-13(22(24)25)10-16(15)26-3/h4-8,10,12H,1,9,11H2,2-3H3,(H,20,23)/p+1/t12-/m1/s1