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

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: 3-imidazol-1-ylpropyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: 3-imidazol-1-ylpropyl-[(4S)-thiochroman-4-yl]ammonium Formula: C15H20N3S+ MolecularWeight: 274.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C15H19N3S/c1-2-5-15-13(4-1)14(6-11-19-15)17-7-3-9-18-10-8-16-12-18/h1-2,4-5,8,10,12,14,17H,3,6-7,9,11H2/p+1/t14-/m0/s1