(2S)-2-(2-morpholin-4-ium-4-ylethyl)-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide

Systemtic Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(2-morpholin-4-ium-4-ylethyl)piperidine-1-carbothioamide CAS Name: (2S)-2-[2-(4-morpholin-4-iumyl)ethyl]-N-(4-propan-2-ylphenyl)-1-piperidinecarbothioamide IUPAC Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide Traditional Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-N-p-cumenyl-piperidine-1-carbothioamide Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCCCC2CC[NH+]3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCCC[C@H]2CC[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3OS/c1-17(2)18-6-8-19(9-7-18)22-21(26)24-11-4-3-5-20(24)10-12-23-13-15-25-16-14-23/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1