(5-chloranylthiophen-2-yl)methyl-methyl-[(2S)-1-(2-methylpropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[(2S)-1-(2-methylpropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(isobutylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[(2S)-1-[[(2-methylpropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[(2S)-1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(isobutylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C14H23ClN3O2S+ MolecularWeight: 332.86932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)[NH+](C)CC1=CC=C(S1)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC(C)C)[NH+](C)CC1=CC=C(S1)Cl

InChI

InChI=1S/C14H22ClN3O2S/c1-9(2)7-16-14(20)17-13(19)10(3)18(4)8-11-5-6-12(15)21-11/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19,20)/p+1/t10-/m0/s1