[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]-(1-piperidyl)methanone CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]-piperidino-methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C(=O)N3CCCCC3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C(=O)N3CCCCC3)O

InChI

InChI=1S/C20H30N2O3/c23-18(15-21-11-3-1-4-12-21)16-25-19-9-7-17(8-10-19)20(24)22-13-5-2-6-14-22/h7-10,18,23H,1-6,11-16H2/p+1/t18-/m0/s1