N-[[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-5-25-17(3)21(16(2)23-25)15-24-12-6-7-18(14-24)13-22-29(26,27)20-10-8-19(28-4)9-11-20/h8-11,18,22H,5-7,12-15H2,1-4H3/p+1/t18-/m1/s1