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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]propionamide Formula: C21H39N5O+2 MolecularWeight: 377.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CCCN3C=CC=N3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CCCN3C=CC=N3

InChI

InChI=1S/C21H37N5O/c1-2-25-13-3-6-20(25)18-22-21(27)8-7-19-9-16-24(17-10-19)12-5-15-26-14-4-11-23-26/h4,11,14,19-20H,2-3,5-10,12-13,15-18H2,1H3,(H,22,27)/p+2/t20-/m0/s1