1-(3-fluoranyl-4-methyl-phenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)benzyl]thiourea Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)F

InChI

InChI=1S/C20H24FN3OS/c1-15-2-7-18(12-19(15)21)23-20(26)22-13-16-3-5-17(6-4-16)14-24-8-10-25-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H2,22,23,26)/p+1