3,3,5,5-tetramethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-dihydro-2-benzazepine-2-carbothioamide

Systemtic Name: 3,3,5,5-tetramethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-dihydro-2-benzazepine-2-carbothioamide Openeye Name: 3,3,5,5-tetramethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-dihydro-2-benzazepine-2-carbothioamide CAS Name: 3,3,5,5-tetramethyl-N-[3-(4-morpholin-4-iumyl)propyl]-1,4-dihydro-2-benzazepine-2-carbothioamide IUPAC Name: 3,3,5,5-tetramethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-dihydro-2-benzazepine-2-carbothioamide Traditional Name: 3,3,5,5-tetramethyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-dihydro-2-benzazepine-2-carbothioamide Formula: C22H36N3OS+ MolecularWeight: 390.60574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(CC2=CC=CC=C21)C(=S)NCCC[NH+]3CCOCC3)(C)C)C

Isomeric SMILES

CC1(CC(N(CC2=CC=CC=C21)C(=S)NCCC[NH+]3CCOCC3)(C)C)C

InChI

InChI=1S/C22H35N3OS/c1-21(2)17-22(3,4)25(16-18-8-5-6-9-19(18)21)20(27)23-10-7-11-24-12-14-26-15-13-24/h5-6,8-9H,7,10-17H2,1-4H3,(H,23,27)/p+1