dimethyl-[(1S)-2-[(3-methyl-5-nitro-imidazol-4-yl)amino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(3-methyl-5-nitro-imidazol-4-yl)amino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(3-methyl-5-nitro-4-imidazolyl)amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-methyl-5-nitroimidazol-4-yl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C12H18N5O2S+ MolecularWeight: 296.36862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCC(C2=CSC=C2)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NC[C@H](C2=CSC=C2)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O2S/c1-15(2)10(9-4-5-20-7-9)6-13-11-12(17(18)19)14-8-16(11)3/h4-5,7-8,10,13H,6H2,1-3H3/p+1/t10-/m1/s1