1-(3-methylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(m-tolyl)thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-16-3-2-4-19(13-16)22-20(25)21-14-17-5-7-18(8-6-17)15-23-9-11-24-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,25)/p+1