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

Systemtic Name: 1-(3-methoxyphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)benzyl]thiourea Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O2S/c1-24-19-4-2-3-18(13-19)22-20(26)21-14-16-5-7-17(8-6-16)15-23-9-11-25-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,26)/p+1