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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[[1-[(2-methoxy-5-methyl-phenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[[1-[(2-methoxy-5-methyl-phenyl)methyl]piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[[1-[(2-methoxy-5-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-[[1-(2-methoxy-5-methyl-benzyl)piperidin-1-ium-4-yl]methyl]urea Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)CNC(=O)NC3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)CNC(=O)NC3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C23H30ClN3O2/c1-16-4-7-22(29-3)19(12-16)15-27-10-8-18(9-11-27)14-25-23(28)26-21-13-20(24)6-5-17(21)2/h4-7,12-13,18H,8-11,14-15H2,1-3H3,(H2,25,26,28)/p+1