dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furoyl]amino]ethyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C18H21N3O3S/c1-12-5-4-6-14-16(12)20-18(24-14)25-11-13-7-8-15(23-13)17(22)19-9-10-21(2)3/h4-8H,9-11H2,1-3H3,(H,19,22)/p+1