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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-p-phenetyl-thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O2S/c1-2-26-20-9-7-19(8-10-20)23-21(27)22-15-17-5-3-4-6-18(17)16-24-11-13-25-14-12-24/h3-10H,2,11-16H2,1H3,(H2,22,23,27)/p+1