N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C16H23N3OS/c21-16(17-6-8-18-9-11-20-12-10-18)19-7-5-14-3-1-2-4-15(14)13-19/h1-4H,5-13H2,(H,17,21)/p+1