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

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)benzyl]thiourea Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C23H31N3OS/c1-2-3-4-19-9-11-22(12-10-19)25-23(28)24-17-20-5-7-21(8-6-20)18-26-13-15-27-16-14-26/h5-12H,2-4,13-18H2,1H3,(H2,24,25,28)/p+1