2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(ethoxymethyl)-4-methoxy-benzyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C(C)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C(C)C)OC

InChI

InChI=1S/C20H34N2O3/c1-5-25-15-18-12-17(6-7-20(18)24-4)13-21-9-10-22(16(2)3)19(14-21)8-11-23/h6-7,12,16,19,23H,5,8-11,13-15H2,1-4H3/p+1/t19-/m0/s1