[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C25H23N2OS+ MolecularWeight: 399.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1[NH2+]C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1[NH2+][C@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H22N2OS/c28-25(20-16-26-21-12-6-4-10-18(20)21)24(17-8-2-1-3-9-17)27-22-14-15-29-23-13-7-5-11-19(22)23/h1-13,16,22,24,26-27H,14-15H2/p+1/t22-,24+/m0/s1