N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-ethoxy-benzenesulfonamide Formula: C18H31N2O3S+ MolecularWeight: 355.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C18H30N2O3S/c1-4-23-17-6-8-18(9-7-17)24(21,22)19-10-5-11-20-13-15(2)12-16(3)14-20/h6-9,15-16,19H,4-5,10-14H2,1-3H3/p+1/t15-,16-/m1/s1