2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethylazanium

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethylazanium Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]ethylammonium CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]ethylammonium IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethylazanium Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]ethylammonium Formula: C14H17N2O2S+ MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC[NH3+])OC1

InChI

InChI=1S/C14H16N2O2S/c15-5-4-14-16-11(9-19-14)10-2-3-12-13(8-10)18-7-1-6-17-12/h2-3,8-9H,1,4-7,15H2/p+1