(3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: (3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-(4-pyrazol-1-ylbenzyl)ammonium Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=CC=C(C=C2)N3C=CC=N3)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=CC=C(C=C2)N3C=CC=N3)C[C@H](C)O

InChI

InChI=1S/C19H23N3OS/c1-15-8-11-24-19(15)14-21(12-16(2)23)13-17-4-6-18(7-5-17)22-10-3-9-20-22/h3-11,16,23H,12-14H2,1-2H3/p+1/t16-/m0/s1