(4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

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