methyl-[[2-oxidanyl-3-[(phenylmethyl)carbamoyl]naphthalen-1-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[2-oxidanyl-3-[(phenylmethyl)carbamoyl]naphthalen-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(benzylcarbamoyl)-2-hydroxy-1-naphthyl]methyl]-methyl-ammonium CAS Name: [2-hydroxy-3-[oxo-[(phenylmethyl)amino]methyl]-1-naphthalenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(benzylcarbamoyl)-2-hydroxynaphthalen-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(benzylcarbamoyl)-2-hydroxy-1-naphthyl]methyl]-methyl-ammonium Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O

InChI

InChI=1S/C27H26N2O2/c1-29(18-21-12-6-3-7-13-21)19-25-23-15-9-8-14-22(23)16-24(26(25)30)27(31)28-17-20-10-4-2-5-11-20/h2-16,30H,17-19H2,1H3,(H,28,31)/p+1