3-(3-chloranyl-4-methoxy-phenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-4-methoxy-phenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-(phenylmethyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(3-chloro-4-methoxy-phenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-26-20-10-9-18(12-19(20)22)24-21(27)25(14-16-6-3-2-4-7-16)15-17-8-5-11-23-13-17/h2-13H,14-15H2,1H3,(H,24,27)/p+1