1-(2-oxidanyl-3-phenyl-propyl)-1-[(phenylmethyl)amino]piperidin-1-ium-4-carbaldehyde

Systemtic Name: 1-(2-oxidanyl-3-phenyl-propyl)-1-[(phenylmethyl)amino]piperidin-1-ium-4-carbaldehyde Openeye Name: 1-(benzylamino)-1-(2-hydroxy-3-phenyl-propyl)piperidin-1-ium-4-carbaldehyde CAS Name: 1-(2-hydroxy-3-phenylpropyl)-1-[(phenylmethyl)amino]-4-piperidin-1-iumcarboxaldehyde IUPAC Name: 1-(benzylamino)-1-(2-hydroxy-3-phenylpropyl)piperidin-1-ium-4-carbaldehyde Traditional Name: 1-(benzylamino)-1-(2-hydroxy-3-phenyl-propyl)piperidin-1-ium-4-carbaldehyde Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C=O)(CC(CC2=CC=CC=C2)O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[N+](CCC1C=O)(CC(CC2=CC=CC=C2)O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H29N2O2/c25-18-21-11-13-24(14-12-21,23-16-20-9-5-2-6-10-20)17-22(26)15-19-7-3-1-4-8-19/h1-10,18,21-23,26H,11-17H2/q+1