(2R)-2-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)azepane-1-carbothioamide

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)azepane-1-carbothioamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H30N4OS/c1-20-9-5-7-16(20)17-6-3-2-4-10-22(17)18(24)19-8-11-21-12-14-23-15-13-21/h5,7,9,17H,2-4,6,8,10-15H2,1H3,(H,19,24)/p+1/t17-/m1/s1