3-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-azanium Openeye Name: 3-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-ammonium CAS Name: 3-[[[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethylazanium Traditional Name: 3-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-ammonium Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C#N

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C#N

InChI

InChI=1S/C18H28N4O2S/c1-5-22(6-2)9-7-8-20-17(23)21-16-14(11-19)13-10-18(3,4)24-12-15(13)25-16/h5-10,12H2,1-4H3,(H2,20,21,23)/p+1