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

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-[1-(3-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCOC)C(C)C2=C[NH+]=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCOC)C(C)C2=C[NH+]=CC=C2

InChI

InChI=1S/C18H22ClN3OS/c1-13-6-7-16(19)11-17(13)21-18(24)22(9-10-23-3)14(2)15-5-4-8-20-12-15/h4-8,11-12,14H,9-10H2,1-3H3,(H,21,24)/p+1