[2-[[(4-ethanoylphenyl)carbonylamino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[[(4-ethanoylphenyl)carbonylamino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [2-[[(4-acetylbenzoyl)amino]methyl]indan-2-yl]-benzyl-methyl-ammonium CAS Name: [2-[[[(4-acetylphenyl)-oxomethyl]amino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-[[(4-acetylbenzoyl)amino]methyl]-1,3-dihydroinden-2-yl]-benzyl-methylazanium Traditional Name: [2-[[(4-acetylbenzoyl)amino]methyl]indan-2-yl]-benzyl-methyl-ammonium Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)NCC2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NCC2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-20(30)22-12-14-23(15-13-22)26(31)28-19-27(16-24-10-6-7-11-25(24)17-27)29(2)18-21-8-4-3-5-9-21/h3-15H,16-19H2,1-2H3,(H,28,31)/p+1