[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]azanium

Systemtic Name: [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]azanium Openeye Name: [(3S)-chroman-3-yl]-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]ammonium CAS Name: [(3S)-3,4-dihydro-2H-1-benzopyran-3-yl]-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(3S)-chroman-3-yl]-(5-methyl-2-pyrazol-1-yl-benzyl)ammonium Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH2+]C3CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH2+][C@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C20H21N3O/c1-15-7-8-19(23-10-4-9-22-23)17(11-15)13-21-18-12-16-5-2-3-6-20(16)24-14-18/h2-11,18,21H,12-14H2,1H3/p+1/t18-/m0/s1