methyl-[2-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]indan-2-yl]ammonium CAS Name: methyl-[2-[[2-(1-methyl-4-pyrazolyl)ethylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-methyl-[2-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]indan-2-yl]ammonium Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CCNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-27(17-19-8-4-3-5-9-19)24(14-21-10-6-7-11-22(21)15-24)23(29)25-13-12-20-16-26-28(2)18-20/h3-11,16,18H,12-15,17H2,1-2H3,(H,25,29)/p+1