methyl 1-[(2S)-3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-3-[3-(1-azocan-1-iumylmethyl)phenoxy]-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H40N2O4+2 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H38N2O4/c1-29-24(28)21-10-14-26(15-11-21)18-22(27)19-30-23-9-7-8-20(16-23)17-25-12-5-3-2-4-6-13-25/h7-9,16,21-22,27H,2-6,10-15,17-19H2,1H3/p+2/t22-/m0/s1