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

Systemtic Name: methyl-[2-[(5-methylpyrazin-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium Openeye Name: methyl-[2-[(5-methylpyrazin-2-yl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium CAS Name: methyl-[2-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-[2-[(5-methylpyrazin-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethylazanium Traditional Name: methyl-[2-[(5-methylpyrazin-2-yl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-19-16-27-23(17-26-19)18-28-24(30)25(14-21-10-6-7-11-22(21)15-25)29(2)13-12-20-8-4-3-5-9-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,30)/p+1