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

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidinosulfonyl-benzamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-2-20-10-6-8-16(20)14-19-18(22)15-7-5-9-17(13-15)25(23,24)21-11-3-4-12-21/h5,7,9,13,16H,2-4,6,8,10-12,14H2,1H3,(H,19,22)/p+1/t16-/m1/s1