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

Systemtic Name: [6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]methylazanium Openeye Name: [6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]methylammonium CAS Name: [6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]methylammonium IUPAC Name: [6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]methylazanium Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-benzothiazol-2-yl]methylammonium Formula: C18H20N3S+ MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c19-10-18-20-16-6-5-13(9-17(16)22-18)11-21-8-7-14-3-1-2-4-15(14)12-21/h1-6,9H,7-8,10-12,19H2/p+1