1-[(2S)-2-oxidanyl-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[3-(1-pyrrolidin-1-iumylmethyl)phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Formula: C19H32N2O3+2 MolecularWeight: 336.46898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C19H30N2O3/c22-17-6-10-21(11-7-17)14-18(23)15-24-19-5-3-4-16(12-19)13-20-8-1-2-9-20/h3-5,12,17-18,22-23H,1-2,6-11,13-15H2/p+2/t18-/m0/s1