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

Systemtic Name: 1-(4-methylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(p-tolyl)thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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