[2-[[(5-ethanoylthiophen-2-yl)carbonylamino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[[(5-ethanoylthiophen-2-yl)carbonylamino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [2-[[(5-acetylthiophene-2-carbonyl)amino]methyl]indan-2-yl]-benzyl-methyl-ammonium CAS Name: [2-[[[(5-acetyl-2-thiophenyl)-oxomethyl]amino]methyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-1,3-dihydroinden-2-yl]-benzyl-methylazanium Traditional Name: [2-[[(5-acetylthiophene-2-carbonyl)amino]methyl]indan-2-yl]-benzyl-methyl-ammonium Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCC2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCC2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S/c1-18(28)22-12-13-23(30-22)24(29)26-17-25(14-20-10-6-7-11-21(20)15-25)27(2)16-19-8-4-3-5-9-19/h3-13H,14-17H2,1-2H3,(H,26,29)/p+1