(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21ClN2O3S/c1-2-21(10-17(22)20-8-16-4-3-5-25-16)9-13-6-15(19)7-14-11-23-12-24-18(13)14/h3-7H,2,8-12H2,1H3,(H,20,22)/p+1