1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)benzyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-16-11-17(2)13-20(12-16)23-21(26)22-14-18-3-5-19(6-4-18)15-24-7-9-25-10-8-24/h3-6,11-13H,7-10,14-15H2,1-2H3,(H2,22,23,26)/p+1