3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide

Systemtic Name: 3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Openeye Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide CAS Name: 3-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]propanamide IUPAC Name: 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Traditional Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propionamide Formula: C22H37N3O2S+2 MolecularWeight: 407.61308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=CSC(=C3)C(=O)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=CSC(=C3)C(=O)C

InChI

InChI=1S/C22H35N3O2S/c1-3-25-10-4-5-20(25)14-23-22(27)7-6-18-8-11-24(12-9-18)15-19-13-21(17(2)26)28-16-19/h13,16,18,20H,3-12,14-15H2,1-2H3,(H,23,27)/p+2/t20-/m0/s1