N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(1-pyrimidin-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-pyrimidin-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-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(1-pyrimidin-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-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C24H38N6O+2 MolecularWeight: 426.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N6O/c1-2-29-14-3-6-21(29)18-27-23(31)9-8-20-10-16-28(17-11-20)19-22-7-4-15-30(22)24-25-12-5-13-26-24/h4-5,7,12-13,15,20-21H,2-3,6,8-11,14,16-19H2,1H3,(H,27,31)/p+2/t21-/m0/s1