3-(2-ethylimidazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-propanamide

Systemtic Name: 3-(2-ethylimidazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-propanamide Openeye Name: 3-(2-ethylimidazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-propanamide CAS Name: 3-(2-ethyl-1-imidazolyl)-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methylpropanamide IUPAC Name: 3-(2-ethylimidazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methylpropanamide Traditional Name: 3-(2-ethylimidazol-1-yl)-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-propionamide Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CCC(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=NC=CN1CCC(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H29FN4O/c1-3-20-23-11-14-26(20)13-10-21(27)24(2)18-8-6-12-25(16-18)15-17-7-4-5-9-19(17)22/h4-5,7,9,11,14,18H,3,6,8,10,12-13,15-16H2,1-2H3/p+1/t18-/m0/s1