[4-[(2R)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium

Systemtic Name: [4-[(2R)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Traditional Name: [4-[(2R)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C23H34N4O4+2 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCC3=NC=CN=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C[NH2+]CCC3=NC=CN=C3)O

InChI

InChI=1S/C23H32N4O4/c1-30-23(29)19-7-12-27(13-8-19)16-21(28)17-31-22-4-2-18(3-5-22)14-24-9-6-20-15-25-10-11-26-20/h2-5,10-11,15,19,21,24,28H,6-9,12-14,16-17H2,1H3/p+2/t21-/m1/s1