[3-(2-hydroxyethyloxy)phenyl]methyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: [3-(2-hydroxyethyloxy)phenyl]methyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium Openeye Name: [3-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium CAS Name: [3-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethyl]ammonium IUPAC Name: [3-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]azanium Traditional Name: [3-(2-hydroxyethoxy)benzyl]-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)[NH2+]CC4=CC(=CC=C4)OCCO

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)[C@H](C)[NH2+]CC4=CC(=CC=C4)OCCO

InChI

InChI=1S/C25H27N3O2/c1-18(26-16-20-7-5-10-22(15-20)30-14-13-29)24-17-27-28(19(24)2)25-12-6-9-21-8-3-4-11-23(21)25/h3-12,15,17-18,26,29H,13-14,16H2,1-2H3/p+1/t18-/m0/s1