1-[[1-[(5-chloranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-chlorophenyl)urea

Systemtic Name: 1-[[1-[(5-chloranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-chlorophenyl)urea Openeye Name: 1-[[1-[(5-chloro-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-chlorophenyl)urea CAS Name: 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(3-chlorophenyl)urea IUPAC Name: 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-chlorophenyl)urea Traditional Name: 1-[[1-(5-chloro-2-methoxy-benzyl)piperidin-1-ium-4-yl]methyl]-3-(3-chlorophenyl)urea Formula: C21H26Cl2N3O2+ MolecularWeight: 423.35604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25Cl2N3O2/c1-28-20-6-5-18(23)11-16(20)14-26-9-7-15(8-10-26)13-24-21(27)25-19-4-2-3-17(22)12-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,27)/p+1