2-[(2S)-4-[(4-ethylphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethylbenzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C(C)C

InChI

InChI=1S/C18H30N2O/c1-4-16-5-7-17(8-6-16)13-19-10-11-20(15(2)3)18(14-19)9-12-21/h5-8,15,18,21H,4,9-14H2,1-3H3/p+1/t18-/m0/s1