(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C18H25N2OS+ MolecularWeight: 317.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC(C)C2=CC=CS2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2OS/c1-13-7-8-16(14(2)10-13)11-20(4)12-18(21)19-15(3)17-6-5-9-22-17/h5-10,15H,11-12H2,1-4H3,(H,19,21)/p+1/t15-/m0/s1