methyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(pyrazin-2-ylmethyl)azanium

Systemtic Name: methyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(pyrazin-2-ylmethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O)CC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1OC[C@H](C[NH+]2CCCCC2)O)CC3=NC=CN=C3

InChI

InChI=1S/C21H30N4O2/c1-24(15-19-13-22-9-10-23-19)14-18-7-3-4-8-21(18)27-17-20(26)16-25-11-5-2-6-12-25/h3-4,7-10,13,20,26H,2,5-6,11-12,14-17H2,1H3/p+2/t20-/m0/s1