furan-2-ylmethyl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]cyclopent-2-en-1-yl]azanium

Systemtic Name: furan-2-ylmethyl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]cyclopent-2-en-1-yl]azanium Openeye Name: 2-furylmethyl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]cyclopent-2-en-1-yl]ammonium CAS Name: 2-furanylmethyl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-cyclopent-2-enyl]ammonium IUPAC Name: furan-2-ylmethyl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]azanium Traditional Name: 2-furfuryl-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]cyclopent-2-en-1-yl]ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C)C3CC(C=C3)[NH2+]CC4=CC=CO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C)[C@H]3C[C@@H](C=C3)[NH2+]CC4=CC=CO4

InChI

InChI=1S/C22H25N3O2/c1-15-22(16(2)25(24-15)19-8-10-20(26-3)11-9-19)17-6-7-18(13-17)23-14-21-5-4-12-27-21/h4-12,17-18,23H,13-14H2,1-3H3/p+1/t17-,18-/m1/s1