3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-3-20-22-16(2)19(24-20)15-25-13-11-17(12-14-25)9-10-21(26)23-18-7-5-4-6-8-18/h4-8,17H,3,9-15H2,1-2H3,(H,22,24)(H,23,26)/p+1