3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3,5-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=CC(=CC(=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-18-14-19(2)16-21(15-18)24-22(28)26(17-20-4-6-23-7-5-20)9-3-8-25-10-12-27-13-11-25/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,24,28)/p+1