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

Systemtic Name: [(2S)-3-[5-[(4-cyclopentyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[5-[(4-cyclopentyl-3-oxo-piperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[5-[(4-cyclopentyl-3-oxo-1-piperazin-1-iumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[5-[(4-cyclopentyl-3-oxopiperazin-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[5-[(4-cyclopentyl-3-keto-piperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+]2CCN(C(=O)C2)C3CCCC3)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+]2CCN(C(=O)C2)C3CCCC3)OC)O

InChI

InChI=1S/C24H39N3O4/c1-4-25(5-2)16-21(28)18-31-23-14-19(10-11-22(23)30-3)15-26-12-13-27(24(29)17-26)20-8-6-7-9-20/h10-11,14,20-21,28H,4-9,12-13,15-18H2,1-3H3/p+2/t21-/m0/s1