[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C22H34N4O4+2 MolecularWeight: 418.52976

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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=CC=NN3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O)CC3=CC=NN3

InChI

InChI=1S/C22H32N4O4/c1-25(14-19-6-9-23-24-19)13-17-4-3-5-21(12-17)30-16-20(27)15-26-10-7-18(8-11-26)22(28)29-2/h3-6,9,12,18,20,27H,7-8,10-11,13-16H2,1-2H3,(H,23,24)/p+2/t20-/m0/s1