[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-pyridylmethyl)ammonium Formula: C23H33N3O4+2 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CC3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CC3=CN=CC=C3)O

InChI

InChI=1S/C23H31N3O4/c1-29-23(28)20-7-10-26(11-8-20)16-21(27)17-30-22-6-2-4-18(12-22)13-25-15-19-5-3-9-24-14-19/h2-6,9,12,14,20-21,25,27H,7-8,10-11,13,15-17H2,1H3/p+2/t21-/m0/s1