2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylazanium

Systemtic Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylazanium Openeye Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylammonium CAS Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylammonium IUPAC Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylazanium Traditional Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]ethylammonium Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)N=C(S4)CC[NH3+]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)N=C(S4)CC[NH3+]

InChI

InChI=1S/C19H21N3S/c20-9-7-19-21-17-6-5-14(11-18(17)23-19)12-22-10-8-15-3-1-2-4-16(15)13-22/h1-6,11H,7-10,12-13,20H2/p+1