1-[(1-propylpiperidin-1-ium-4-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(1-propylpiperidin-1-ium-4-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(1-propylpiperidin-1-ium-4-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(1-propyl-4-piperidin-1-iumylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(1-propylpiperidin-1-ium-4-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(1-propylpiperidin-1-ium-4-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H22F3N4S+ MolecularWeight: 359.43289

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1

InChI

InChI=1S/C16H21F3N4S/c1-2-9-23-10-7-12(8-11-23)21-22-15(24)20-14-6-4-3-5-13(14)16(17,18)19/h3-6H,2,7-11H2,1H3,(H2,20,22,24)/p+1