[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]methyl-phenethyl-azanium

Systemtic Name: [1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]methyl-phenethyl-azanium Openeye Name: [5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrazol-4-yl]methyl-phenethyl-ammonium CAS Name: [5-chloro-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-4-pyrazolyl]methyl-phenethylammonium IUPAC Name: [5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]methyl-phenethylazanium Traditional Name: [5-chloro-1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-pyrazol-4-yl]methyl-phenethyl-ammonium Formula: C17H23ClN3O2S+ MolecularWeight: 368.90142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCC2=CC=CC=C2)Cl)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCC2=CC=CC=C2)Cl)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H22ClN3O2S/c1-13-16(11-19-9-7-14-5-3-2-4-6-14)17(18)21(20-13)15-8-10-24(22,23)12-15/h2-6,15,19H,7-12H2,1H3/p+1/t15-/m0/s1