[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-(2-thienylmethyl)ammonium CAS Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-(2-thenyl)ammonium Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C21H22N2OS/c1-15-10-11-16(2)19(13-15)23-21(24)20(17-7-4-3-5-8-17)22-14-18-9-6-12-25-18/h3-13,20,22H,14H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1