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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-3-26-10-12-27(13-11-26)18-22(28)19-29-23-8-4-6-20(14-23)16-25(2)17-21-7-5-9-24-15-21/h4-9,14-15,22,28H,3,10-13,16-19H2,1-2H3/p+2/t22-/m0/s1