N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-3-22-11-7-8-18(22)15-21-20(24)17-10-9-16(2)19(14-17)27(25,26)23-12-5-4-6-13-23/h9-10,14,18H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1