diethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyl]azanium

Systemtic Name: diethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyl]azanium Openeye Name: diethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyl]ammonium CAS Name: diethyl-[4-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]butyl]ammonium IUPAC Name: diethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyl]azanium Traditional Name: diethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyl]ammonium Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3S/c1-3-20(4-2)10-6-5-9-17-15(22)19-16-18-13-8-7-12(21(23)24)11-14(13)25-16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,17,18,19,22)/p+1