2-(3-methylpyridin-2-yl)butanoyl-[(2-oxidanyl-2-phenyl-ethyl)amino]-phenyl-(phenylmethyl)azanium

Systemtic Name: 2-(3-methylpyridin-2-yl)butanoyl-[(2-oxidanyl-2-phenyl-ethyl)amino]-phenyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2-hydroxy-2-phenyl-ethyl)amino]-[2-(3-methyl-2-pyridyl)butanoyl]-phenyl-ammonium CAS Name: [(2-hydroxy-2-phenylethyl)amino]-[2-(3-methyl-2-pyridinyl)-1-oxobutyl]-phenyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-hydroxy-2-phenylethyl)amino]-[2-(3-methylpyridin-2-yl)butanoyl]-phenylazanium Traditional Name: benzyl-[(2-hydroxy-2-phenyl-ethyl)amino]-[2-(3-methyl-2-pyridyl)butanoyl]-phenyl-ammonium Formula: C31H34N3O2+ MolecularWeight: 480.62056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC=N1)C)C(=O)[N+](CC2=CC=CC=C2)(C3=CC=CC=C3)NCC(C4=CC=CC=C4)O

Isomeric SMILES

CCC(C1=C(C=CC=N1)C)C(=O)[N+](CC2=CC=CC=C2)(C3=CC=CC=C3)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C31H34N3O2/c1-3-28(30-24(2)14-13-21-32-30)31(36)34(27-19-11-6-12-20-27,23-25-15-7-4-8-16-25)33-22-29(35)26-17-9-5-10-18-26/h4-21,28-29,33,35H,3,22-23H2,1-2H3/q+1