3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(o-tolyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(o-tolyl)-1-(4-pyridylmethyl)thiourea Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H26N4OS/c1-17-4-2-3-5-19(17)22-20(26)24(16-18-6-8-21-9-7-18)11-10-23-12-14-25-15-13-23/h2-9H,10-16H2,1H3,(H,22,26)/p+1