2-[(2S)-1-methyl-4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(2,4,5-trimethylphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(2,4,5-trimethylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CN2CC[NH+](C(C2)CCO)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CN2CC[NH+]([C@H](C2)CCO)C)C

InChI

InChI=1S/C17H28N2O/c1-13-9-15(3)16(10-14(13)2)11-19-7-6-18(4)17(12-19)5-8-20/h9-10,17,20H,5-8,11-12H2,1-4H3/p+1/t17-/m0/s1