[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]azanium

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-oxo-2-(phenethylamino)ethyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(phenethylamino)ethyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(phenethylamino)ethyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-keto-2-(phenethylamino)ethyl]ammonium Formula: C23H27N2OS+ MolecularWeight: 379.53828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2OS/c1-2-18-10-12-20(13-11-18)23(21-9-6-16-27-21)25-17-22(26)24-15-14-19-7-4-3-5-8-19/h3-13,16,23,25H,2,14-15,17H2,1H3,(H,24,26)/p+1/t23-/m1/s1