1,3-benzothiazol-2-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4S)-chroman-4-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4S)-chroman-4-yl]ammonium Formula: C17H17N2OS+ MolecularWeight: 297.39468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1[NH2+]CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1[NH2+]CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N2OS/c1-3-7-15-12(5-1)13(9-10-20-15)18-11-17-19-14-6-2-4-8-16(14)21-17/h1-8,13,18H,9-11H2/p+1/t13-/m0/s1