[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CSC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C16H19N3O2S/c1-11(19(2)9-12-7-8-22-10-12)16(21)18-14-5-3-13(4-6-14)15(17)20/h3-8,10-11H,9H2,1-2H3,(H2,17,20)(H,18,21)/p+1/t11-/m1/s1