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

Systemtic Name: methyl-(phenylmethyl)-[2-[(3-pyrazol-1-ylpropanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium Openeye Name: benzyl-methyl-[2-[(3-pyrazol-1-ylpropanoylamino)methyl]indan-2-yl]ammonium CAS Name: methyl-[2-[[[1-oxo-3-(1-pyrazolyl)propyl]amino]methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(3-pyrazol-1-ylpropanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-methyl-[2-[(3-pyrazol-1-ylpropanoylamino)methyl]indan-2-yl]ammonium Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCN4C=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCN4C=CC=N4

InChI

InChI=1S/C24H28N4O/c1-27(18-20-8-3-2-4-9-20)24(16-21-10-5-6-11-22(21)17-24)19-25-23(29)12-15-28-14-7-13-26-28/h2-11,13-14H,12,15-19H2,1H3,(H,25,29)/p+1