2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: 2-(3-amino-3-oxo-propyl)sulfonylethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: 2-(3-amino-3-keto-propyl)sulfonylethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O3S/c1-19(8-10-24(22,23)9-7-16(17)21)12-14-11-18-20(13-14)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3,(H2,17,21)/p+1