2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)[NH2+]CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)[C@H](C)[NH2+]CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H25N3O2/c1-17(26-15-19-10-11-24-25(14-19)30-13-12-29-24)22-16-27-28(18(22)2)23-9-5-7-20-6-3-4-8-21(20)23/h3-11,14,16-17,26H,12-13,15H2,1-2H3/p+1/t17-/m0/s1