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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(2-ketopyrrolidino)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S/c22-16-2-1-8-21(16)15-5-3-14(4-6-15)19-17(24)18-7-9-20-10-12-23-13-11-20/h3-6H,1-2,7-13H2,(H2,18,19,24)/p+1