1,3-benzothiazol-2-ylmethyl-[(S)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(S)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(S)-indan-5-yl(2-thienyl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(S)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(S)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(S)-indan-5-yl(2-thienyl)methyl]ammonium Formula: C22H21N2S2+ MolecularWeight: 377.54554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(C3=CC=CS3)[NH2+]CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)[C@@H](C3=CC=CS3)[NH2+]CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2S2/c1-2-8-19-18(7-1)24-21(26-19)14-23-22(20-9-4-12-25-20)17-11-10-15-5-3-6-16(15)13-17/h1-2,4,7-13,22-23H,3,5-6,14H2/p+1/t22-/m0/s1