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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]ammonium Formula: C20H37N3O3+2 MolecularWeight: 367.52608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3/c1-5-22(6-2)15-18(24)16-26-20-13-17(7-8-19(20)25-4)14-23-11-9-21(3)10-12-23/h7-8,13,18,24H,5-6,9-12,14-16H2,1-4H3/p+2/t18-/m0/s1