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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C22H35N5O2+2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN=C3)O

InChI

InChI=1S/C22H33N5O2/c1-3-26-9-11-27(12-10-26)17-21(28)18-29-22-6-4-5-19(13-22)15-25(2)16-20-14-23-7-8-24-20/h4-8,13-14,21,28H,3,9-12,15-18H2,1-2H3/p+2/t21-/m0/s1