cycloheptyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cycloheptyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cycloheptyl-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C23H41N3O3+2 MolecularWeight: 407.58994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O3/c1-25-11-13-26(14-12-25)17-21(27)18-29-23-15-19(9-10-22(23)28-2)16-24-20-7-5-3-4-6-8-20/h9-10,15,20-21,24,27H,3-8,11-14,16-18H2,1-2H3/p+2/t21-/m1/s1