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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(2-ketopyrrolidino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)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)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c23-17-3-1-10-22(17)16-6-4-15(5-7-16)20-18(25)19-8-2-9-21-11-13-24-14-12-21/h4-7H,1-3,8-14H2,(H2,19,20,25)/p+1