N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31)/p+1