dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl]ammonium Formula: C17H19N4O4S+ MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-11-4-5-12-14(10-11)26-17(18-12)20(9-8-19(2)3)16(22)13-6-7-15(25-13)21(23)24/h4-7,10H,8-9H2,1-3H3/p+1