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

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxy-5-methyl-phenyl)urea CAS Name: 1-(2-methoxy-5-methylphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxy-5-methylphenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxy-5-methyl-phenyl)urea Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-16-8-9-20(26-2)19(14-16)23-21(25)22-18-10-12-24(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H2,22,23,25)/p+1