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

Systemtic Name: methyl 1-[(2S)-2-oxidanyl-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)CNCCC3=NC=CN=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=NC=CN=C3)O

InChI

InChI=1S/C23H32N4O4/c1-30-23(29)19-6-11-27(12-7-19)16-21(28)17-31-22-4-2-3-18(13-22)14-24-8-5-20-15-25-9-10-26-20/h2-4,9-10,13,15,19,21,24,28H,5-8,11-12,14,16-17H2,1H3/p+1/t21-/m0/s1