1-(2-morpholin-4-ium-4-ylethyl)-3-(4-pentylphenyl)thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(4-pentylphenyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(4-pentylphenyl)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-(4-pentylphenyl)thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(4-pentylphenyl)thiourea Traditional Name: 1-(4-amylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C18H29N3OS/c1-2-3-4-5-16-6-8-17(9-7-16)20-18(23)19-10-11-21-12-14-22-15-13-21/h6-9H,2-5,10-15H2,1H3,(H2,19,20,23)/p+1