N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-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:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H32N4O3S/c1-3-4-7-21-22-14-18(24-21)16-25-12-5-6-17(15-25)13-23-29(26,27)20-10-8-19(28-2)9-11-20/h8-11,14,17,23H,3-7,12-13,15-16H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1