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

Systemtic Name: 1-(4-butylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(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=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C23H31N3OS/c1-2-3-6-19-9-11-22(12-10-19)25-23(28)24-17-20-7-4-5-8-21(20)18-26-13-15-27-16-14-26/h4-5,7-12H,2-3,6,13-18H2,1H3,(H2,24,25,28)/p+1