2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: coumaran-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H23N3O/c1-15(22-13-17-8-9-21-18(12-17)10-11-25-21)20-14-23-24(16(20)2)19-6-4-3-5-7-19/h3-9,12,14-15,22H,10-11,13H2,1-2H3/p+1/t15-/m0/s1