1-(2,6-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-(4-morpholin-4-iumylmethyl)phenyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3OS/c1-15-4-3-5-16(2)19(15)22-20(25)21-18-8-6-17(7-9-18)14-23-10-12-24-13-11-23/h3-9H,10-14H2,1-2H3,(H2,21,22,25)/p+1