1-(3-chloranyl-4-methyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-methyl-2-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Formula: C16H25ClN3OS+ MolecularWeight: 342.9072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C)(C)[NH+]2CCOCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC(C)(C)[NH+]2CCOCC2)Cl

InChI

InChI=1S/C16H24ClN3OS/c1-12-4-5-13(10-14(12)17)19-15(22)18-11-16(2,3)20-6-8-21-9-7-20/h4-5,10H,6-9,11H2,1-3H3,(H2,18,19,22)/p+1