dimethyl-[[2-[[2-(4-nitrophenyl)sulfanylethanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[2-(4-nitrophenyl)sulfanylethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[2-[(4-nitrophenyl)thio]acetyl]amino]methyl]benzyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-20(2)12-15-6-4-3-5-14(15)11-19-18(22)13-25-17-9-7-16(8-10-17)21(23)24/h3-10H,11-13H2,1-2H3,(H,19,22)/p+1