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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(E)-3-(4-pyridyl)prop-2-enoyl]-4-piperidyl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-4-piperidinyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(E)-3-(4-pyridyl)acryloyl]-4-piperidyl]propionamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CCN(CC2)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C23H34N4O2/c1-2-26-15-3-4-21(26)18-25-22(28)7-5-20-11-16-27(17-12-20)23(29)8-6-19-9-13-24-14-10-19/h6,8-10,13-14,20-21H,2-5,7,11-12,15-18H2,1H3,(H,25,28)/p+1/b8-6+/t21-/m0/s1