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

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: (4-tert-butylbenzyl)-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H28N2OS/c1-15(18-7-6-12-24-18)21-19(23)14-22(5)13-16-8-10-17(11-9-16)20(2,3)4/h6-12,15H,13-14H2,1-5H3,(H,21,23)/p+1/t15-/m0/s1