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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=[NH+]1)N(CCOC)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C1=CC=CC=[NH+]1)N(CCOC)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-13(16-6-4-5-9-20-16)22(10-11-23-2)18(25)21-14-7-8-17(24-3)15(19)12-14/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)/p+1