(4-acetamidophenyl)methyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(4S)-thiochroman-4-yl]ammonium Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H20N2OS/c1-13(21)20-15-8-6-14(7-9-15)12-19-17-10-11-22-18-5-3-2-4-16(17)18/h2-9,17,19H,10-12H2,1H3,(H,20,21)/p+1/t17-/m0/s1