1-[4-(1-adamantyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-(1-adamantyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(1-adamantyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-(1-adamantyl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(1-adamantyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-(1-adamantyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C24H36N3OS+ MolecularWeight: 414.62714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3OS/c29-23(25-6-1-7-27-8-10-28-11-9-27)26-22-4-2-21(3-5-22)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,1,6-17H2,(H2,25,26,29)/p+1