[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(4-imidazol-1-ylphenyl)methyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(4-imidazol-1-ylphenyl)methyl]azanium Openeye Name: (4-imidazol-1-ylphenyl)methyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[[4-(1-imidazolyl)phenyl]methyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(4-imidazol-1-ylphenyl)methyl]azanium Traditional Name: (4-imidazol-1-ylbenzyl)-[(4S)-thiochroman-4-yl]ammonium Formula: C19H20N3S+ MolecularWeight: 322.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1[NH2+]CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1[NH2+]CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C19H19N3S/c1-2-4-19-17(3-1)18(9-12-23-19)21-13-15-5-7-16(8-6-15)22-11-10-20-14-22/h1-8,10-11,14,18,21H,9,12-13H2/p+1/t18-/m0/s1