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

Systemtic Name: N-[[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-(3-cyclopentylpropyl)-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H35N2O3S+ MolecularWeight: 395.5792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CCCC3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)CCCC3CCCC3

InChI

InChI=1S/C21H34N2O3S/c1-26-20-10-12-21(13-11-20)27(24,25)22-16-19-9-5-15-23(17-19)14-4-8-18-6-2-3-7-18/h10-13,18-19,22H,2-9,14-17H2,1H3/p+1/t19-/m1/s1