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

Systemtic Name: cycloheptyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: cycloheptyl-[[3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]azanium Traditional Name: cycloheptyl-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C23H41N3O2+2 MolecularWeight: 391.59054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCCCCC3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCCCCC3)O

InChI

InChI=1S/C23H39N3O2/c1-2-25-12-14-26(15-13-25)18-22(27)19-28-23-11-7-8-20(16-23)17-24-21-9-5-3-4-6-10-21/h7-8,11,16,21-22,24,27H,2-6,9-10,12-15,17-19H2,1H3/p+2/t22-/m0/s1