(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=S)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=S)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H30N4O3S/c26-20(24-9-4-1-5-10-24)19-16-25(17-6-2-3-7-18(17)28-19)21(29)22-8-11-23-12-14-27-15-13-23/h2-3,6-7,19H,1,4-5,8-16H2,(H,22,29)/p+1/t19-/m0/s1