dimethyl-[(1R)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-methyl-4-nitro-benzoyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-methyl-4-nitrobenzoyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(3-methyl-4-nitro-benzoyl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CS2)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-11-9-12(6-7-13(11)19(21)22)16(20)17-10-14(18(2)3)15-5-4-8-23-15/h4-9,14H,10H2,1-3H3,(H,17,20)/p+1/t14-/m1/s1