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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C24H35N3O4+2 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)C(=O)OC)O)CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O)CC3=CN=CC=C3

InChI

InChI=1S/C24H33N3O4/c1-26(16-20-6-4-10-25-14-20)15-19-5-3-7-23(13-19)31-18-22(28)17-27-11-8-21(9-12-27)24(29)30-2/h3-7,10,13-14,21-22,28H,8-9,11-12,15-18H2,1-2H3/p+2/t22-/m0/s1