4-methoxy-N-[[(3S)-1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(2-piperidin-1-ium-1-ylacetyl)-3-piperidyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(2-piperidin-1-ium-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-(2-piperidin-1-ium-1-ylacetyl)-3-piperidyl]methyl]benzenesulfonamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCCN(C2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-18-7-9-19(10-8-18)28(25,26)21-14-17-6-5-13-23(15-17)20(24)16-22-11-3-2-4-12-22/h7-10,17,21H,2-6,11-16H2,1H3/p+1/t17-/m1/s1