cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-oxo-ethyl)-methyl-ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-oxoethyl)-methylammonio]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-oxoethyl)-methylazaniumyl]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-3-[4-[[(2-ethoxy-2-keto-ethyl)-methyl-ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C23H40N2O5+2 MolecularWeight: 424.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC(C[NH+](C)C2CCCCC2)O)OC

Isomeric SMILES

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OC[C@H](C[NH+](C)C2CCCCC2)O)OC

InChI

InChI=1S/C23H38N2O5/c1-5-29-23(27)16-24(2)14-18-11-12-21(22(13-18)28-4)30-17-20(26)15-25(3)19-9-7-6-8-10-19/h11-13,19-20,26H,5-10,14-17H2,1-4H3/p+2/t20-/m0/s1