[1-[2-(3-cyanophenoxy)ethyl]-1-(phenylcarbonyl)piperidin-1-ium-4-yl]carbamic acid

Systemtic Name: [1-[2-(3-cyanophenoxy)ethyl]-1-(phenylcarbonyl)piperidin-1-ium-4-yl]carbamic acid Openeye Name: [1-benzoyl-1-[2-(3-cyanophenoxy)ethyl]piperidin-1-ium-4-yl]carbamic acid CAS Name: [1-benzoyl-1-[2-(3-cyanophenoxy)ethyl]-4-piperidin-1-iumyl]carbamic acid IUPAC Name: [1-benzoyl-1-[2-(3-cyanophenoxy)ethyl]piperidin-1-ium-4-yl]carbamic acid Traditional Name: [1-benzoyl-1-[2-(3-cyanophenoxy)ethyl]piperidin-1-ium-4-yl]carbamic acid Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NC(=O)O)(CCOC2=CC=CC(=C2)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[N+](CCC1NC(=O)O)(CCOC2=CC=CC(=C2)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c23-16-17-5-4-8-20(15-17)29-14-13-25(21(26)18-6-2-1-3-7-18)11-9-19(10-12-25)24-22(27)28/h1-8,15,19,24H,9-14H2/p+1