(5-ethanoylthiophen-3-yl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: (5-ethanoylthiophen-3-yl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CSC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CSC(=C3)C(=O)C

InChI

InChI=1S/C20H23N3O2S/c1-13(21-10-16-9-20(15(3)24)26-12-16)19-11-22-23(14(19)2)17-5-7-18(25-4)8-6-17/h5-9,11-13,21H,10H2,1-4H3/p+1/t13-/m0/s1