diethyl-[(2S)-3-[2-methoxy-4-[[(4-oxidanylcyclohexyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[[(4-oxidanylcyclohexyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(4-hydroxycyclohexyl)ammonio]methyl]-2-methoxy-phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(4-hydroxycyclohexyl)ammonio]methyl]-2-methoxyphenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(4-hydroxycyclohexyl)azaniumyl]methyl]-2-methoxyphenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(4-hydroxycyclohexyl)ammonio]methyl]-2-methoxy-phenoxy]propyl]ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]C2CCC(CC2)O)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]C2CCC(CC2)O)OC)O

InChI

InChI=1S/C21H36N2O4/c1-4-23(5-2)14-19(25)15-27-20-11-6-16(12-21(20)26-3)13-22-17-7-9-18(24)10-8-17/h6,11-12,17-19,22,24-25H,4-5,7-10,13-15H2,1-3H3/p+2/t17?,18?,19-/m0/s1