3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C22H30N4OS/c1-18-5-3-6-21(19(18)2)24-22(28)26(17-20-7-9-23-10-8-20)12-4-11-25-13-15-27-16-14-25/h3,5-10H,4,11-17H2,1-2H3,(H,24,28)/p+1