dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]ammonium Formula: C12H16N5O3S+ MolecularWeight: 310.35214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3S/c1-16(2)6-5-13-11(18)15-12-14-9-4-3-8(17(19)20)7-10(9)21-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15,18)/p+1