[(2S)-3-[5-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[5-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[5-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[5-[(4-cyclohexyl-1-piperazin-4-iumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[5-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[5-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C25H45N3O3+2 MolecularWeight: 435.6431

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)CN2CC[NH+](CC2)C3CCCCC3)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)CN2CC[NH+](CC2)C3CCCCC3)OC)O

InChI

InChI=1S/C25H43N3O3/c1-4-26(5-2)19-23(29)20-31-25-17-21(11-12-24(25)30-3)18-27-13-15-28(16-14-27)22-9-7-6-8-10-22/h11-12,17,22-23,29H,4-10,13-16,18-20H2,1-3H3/p+2/t23-/m0/s1