N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H28N4O3S/c1-3-23-15-17(11-20-23)14-22-10-4-5-16(13-22)12-21-27(24,25)19-8-6-18(26-2)7-9-19/h6-9,11,15-16,21H,3-5,10,12-14H2,1-2H3/p+1/t16-/m1/s1