methyl-(phenylmethyl)-[2-[(3-pyridin-4-ylpropanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[2-[(3-pyridin-4-ylpropanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium Openeye Name: benzyl-methyl-[2-[[3-(4-pyridyl)propanoylamino]methyl]indan-2-yl]ammonium CAS Name: methyl-[2-[[(1-oxo-3-pyridin-4-ylpropyl)amino]methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(3-pyridin-4-ylpropanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-methyl-[2-[[3-(4-pyridyl)propanoylamino]methyl]indan-2-yl]ammonium Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCC4=CC=NC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C26H29N3O/c1-29(19-22-7-3-2-4-8-22)26(17-23-9-5-6-10-24(23)18-26)20-28-25(30)12-11-21-13-15-27-16-14-21/h2-10,13-16H,11-12,17-20H2,1H3,(H,28,30)/p+1