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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c22-17(18-7-3-8-19-10-12-21-13-11-19)20-9-6-15-4-1-2-5-16(15)14-20/h1-2,4-5H,3,6-14H2,(H,18,22)/p+1