[4-methyl-4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-methyl-4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(3-benzyloxy-2-hydroxy-propyl)-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(2-hydroxy-3-phenylmethoxypropyl)-4-methyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(2-hydroxy-3-phenylmethoxypropyl)-4-methylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-benzoxy-2-hydroxy-propyl)-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C22H29N2O3/c1-24(16-21(25)18-27-17-19-8-4-2-5-9-19)14-12-23(13-15-24)22(26)20-10-6-3-7-11-20/h2-11,21,25H,12-18H2,1H3/q+1