1-(3-ethanoylphenyl)-3-[2-ethyl-1-(hydroxymethyl)-4-(phenylmethyl)-1-propyl-piperidin-1-ium-3-yl]urea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[2-ethyl-1-(hydroxymethyl)-4-(phenylmethyl)-1-propyl-piperidin-1-ium-3-yl]urea Openeye Name: 1-(3-acetylphenyl)-3-[4-benzyl-2-ethyl-1-(hydroxymethyl)-1-propyl-piperidin-1-ium-3-yl]urea CAS Name: 1-(3-acetylphenyl)-3-[2-ethyl-1-(hydroxymethyl)-4-(phenylmethyl)-1-propyl-3-piperidin-1-iumyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[4-benzyl-2-ethyl-1-(hydroxymethyl)-1-propylpiperidin-1-ium-3-yl]urea Traditional Name: 1-(3-acetylphenyl)-3-(4-benzyl-2-ethyl-1-methylol-1-propyl-piperidin-1-ium-3-yl)urea Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C(C1CC)NC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3)CO

Isomeric SMILES

CCC[N+]1(CCC(C(C1CC)NC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3)CO

InChI

InChI=1S/C27H37N3O3/c1-4-15-30(19-31)16-14-23(17-21-10-7-6-8-11-21)26(25(30)5-2)29-27(33)28-24-13-9-12-22(18-24)20(3)32/h6-13,18,23,25-26,31H,4-5,14-17,19H2,1-3H3,(H-,28,29,33)/p+1