1-(4-methoxy-3-oxidanyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(4-methoxy-3-oxidanyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-hydroxy-4-methoxy-phenyl)urea CAS Name: 1-(3-hydroxy-4-methoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-hydroxy-4-methoxyphenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-hydroxy-4-methoxy-phenyl)urea Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H25N3O3/c1-26-19-8-7-17(13-18(19)24)22-20(25)21-16-9-11-23(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,24H,9-12,14H2,1H3,(H2,21,22,25)/p+1