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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C25H37N5O/c1-2-29-15-5-7-22(29)19-27-25(31)11-10-21-12-17-28(18-13-21)20-23-8-6-16-30(23)24-9-3-4-14-26-24/h3-4,6,8-9,14,16,21-22H,2,5,7,10-13,15,17-20H2,1H3,(H,27,31)/p+2/t22-/m0/s1