[4-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [4-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]phenyl]methyl-phenethylammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl-phenethylazanium Traditional Name: [4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzyl]-phenethyl-ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCC3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCC3=CC=CC=C3)O

InChI

InChI=1S/C23H33N3O2/c1-25-13-15-26(16-14-25)18-22(27)19-28-23-9-7-21(8-10-23)17-24-12-11-20-5-3-2-4-6-20/h2-10,22,24,27H,11-19H2,1H3/p+2/t22-/m0/s1