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

Systemtic Name: [2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-methyl-phenethyl-azanium Openeye Name: [2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]indan-2-yl]-methyl-phenethyl-ammonium CAS Name: [2-[[(1,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-methyl-phenethylammonium IUPAC Name: [2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-methyl-phenethylazanium Traditional Name: [2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]indan-2-yl]-methyl-phenethyl-ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-19-23(18-27-29(19)3)17-26-24(30)25(15-21-11-7-8-12-22(21)16-25)28(2)14-13-20-9-5-4-6-10-20/h4-12,18H,13-17H2,1-3H3,(H,26,30)/p+1