1-[3-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[4-[4-[oxo(1-pyrrolidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H30N2O3/c1-19(28)22-6-4-5-20(17-22)18-26-15-11-24(12-16-26)30-23-9-7-21(8-10-23)25(29)27-13-2-3-14-27/h4-10,17,24H,2-3,11-16,18H2,1H3/p+1