1-(3-cyanophenyl)-3-[2-[[1-methyl-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-oxidanyl-phenyl]urea chloride

Systemtic Name: 1-(3-cyanophenyl)-3-[2-[[1-methyl-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-oxidanyl-phenyl]urea chloride Openeye Name: 1-[2-[(4-benzyl-1-methyl-piperidin-1-ium-1-yl)methyl]-4-hydroxy-phenyl]-3-(3-cyanophenyl)urea chloride CAS Name: 1-(3-cyanophenyl)-3-[4-hydroxy-2-[[1-methyl-4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenyl]urea chloride IUPAC Name: 1-[2-[(4-benzyl-1-methylpiperidin-1-ium-1-yl)methyl]-4-hydroxyphenyl]-3-(3-cyanophenyl)urea chloride Traditional Name: 1-[2-[(4-benzyl-1-methyl-piperidin-1-ium-1-yl)methyl]-4-hydroxy-phenyl]-3-(3-cyanophenyl)urea chloride Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CC2=CC=CC=C2)CC3=C(C=CC(=C3)O)NC(=O)NC4=CC=CC(=C4)C#N.[Cl-]

Isomeric SMILES

C[N+]1(CCC(CC1)CC2=CC=CC=C2)CC3=C(C=CC(=C3)O)NC(=O)NC4=CC=CC(=C4)C#N.[Cl-]

InChI

InChI=1S/C28H30N4O2.ClH/c1-32(14-12-22(13-15-32)16-21-6-3-2-4-7-21)20-24-18-26(33)10-11-27(24)31-28(34)30-25-9-5-8-23(17-25)19-29;/h2-11,17-18,22H,12-16,20H2,1H3,(H2-,30,31,33,34);1H