3-[1-(2-chloranylpyridin-4-yl)carbonylpiperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide

Systemtic Name: 3-[1-(2-chloranylpyridin-4-yl)carbonylpiperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Openeye Name: 3-[1-(2-chloropyridine-4-carbonyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide CAS Name: 3-[1-[(2-chloro-4-pyridinyl)-oxomethyl]-4-piperidinyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]propanamide IUPAC Name: 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Traditional Name: 3-[1-(2-chloroisonicotinoyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propionamide Formula: C21H32ClN4O2+ MolecularWeight: 407.95738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2/c1-2-25-11-3-4-18(25)15-24-20(27)6-5-16-8-12-26(13-9-16)21(28)17-7-10-23-19(22)14-17/h7,10,14,16,18H,2-6,8-9,11-13,15H2,1H3,(H,24,27)/p+1/t18-/m0/s1