1-(2-ethyl-6-methyl-phenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(4-morpholin-4-iumylmethyl)phenyl]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C

InChI

InChI=1S/C21H27N3OS/c1-3-18-6-4-5-16(2)20(18)23-21(26)22-19-9-7-17(8-10-19)15-24-11-13-25-14-12-24/h4-10H,3,11-15H2,1-2H3,(H2,22,23,26)/p+1