1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea Traditional Name: 1-[4-(2-ketopyrrolidino)benzyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H26N4O2S/c23-17-2-1-8-22(17)16-5-3-15(4-6-16)14-20-18(25)19-7-9-21-10-12-24-13-11-21/h3-6H,1-2,7-14H2,(H2,19,20,25)/p+1