methyl-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium

Systemtic Name: methyl-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium Openeye Name: methyl-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium CAS Name: methyl-[2-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethylazanium Traditional Name: methyl-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NN1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-17-25-21(27-26-17)16-24-22(29)23(14-19-10-6-7-11-20(19)15-23)28(2)13-12-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,24,29)(H,25,26,27)/p+1