[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: [(S)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl]-[(S)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: [(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: [2-keto-2-(3-phenylpropylamino)ethyl]-[(S)-p-tolyl(2-thienyl)methyl]ammonium Formula: C23H27N2OS+ MolecularWeight: 379.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2OS/c1-18-11-13-20(14-12-18)23(21-10-6-16-27-21)25-17-22(26)24-15-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-14,16,23,25H,5,9,15,17H2,1H3,(H,24,26)/p+1/t23-/m0/s1