2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]ethylazanium

Systemtic Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]ethylazanium Openeye Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-2-yl]ethylammonium CAS Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-thiazolyl]ethylammonium IUPAC Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]ethylazanium Traditional Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thiazol-2-yl]ethylammonium Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=CSC(=N3)CC[NH3+]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=CSC(=N3)CC[NH3+]

InChI

InChI=1S/C16H19N3OS/c17-7-5-15-18-14(11-21-15)9-16(20)19-8-6-12-3-1-2-4-13(12)10-19/h1-4,11H,5-10,17H2/p+1