N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-5-piperidinosulfonyl-benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H31N3O4S/c1-3-22-11-7-8-16(22)15-21-20(24)18-14-17(9-10-19(18)27-2)28(25,26)23-12-5-4-6-13-23/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1