[(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-phenylcarbamate

Systemtic Name: [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-phenylcarbamate Openeye Name: [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(2S)-2-[anilino(oxo)methoxy]-3-(1-piperidin-1-iumyl)propyl] ester IUPAC Name: [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/p+1/t20-/m0/s1