N-[4-[[4-(2-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[2-[oxo(1-pyrrolidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O3/c1-19(29)26-21-10-8-20(9-11-21)18-27-16-12-22(13-17-27)31-24-7-3-2-6-23(24)25(30)28-14-4-5-15-28/h2-3,6-11,22H,4-5,12-18H2,1H3,(H,26,29)/p+1