3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Formula: C19H25ClN3O2S+ MolecularWeight: 394.9387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCOC)C(C)C2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCOC)C(C)C2=CC=CC=[NH+]2

InChI

InChI=1S/C19H24ClN3O2S/c1-13-11-17(18(25-4)12-15(13)20)22-19(26)23(9-10-24-3)14(2)16-7-5-6-8-21-16/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)/p+1