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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

InChI

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