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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(4-quinolylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-(4-quinolinylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(4-quinolylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C25H38N4O+2 MolecularWeight: 410.59542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H36N4O/c1-2-29-15-5-6-22(29)18-27-25(30)10-9-20-12-16-28(17-13-20)19-21-11-14-26-24-8-4-3-7-23(21)24/h3-4,7-8,11,14,20,22H,2,5-6,9-10,12-13,15-19H2,1H3,(H,27,30)/p+2/t22-/m0/s1