2-[(2S)-1-(3-methylbutyl)-4-(1-phenethylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-(1-phenethylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-(1-phenethyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-(1-phenethyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-(1-phenethylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-(1-phenethyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H42N3O+ MolecularWeight: 388.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)C2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)C2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H41N3O/c1-21(2)8-16-26-17-18-27(20-24(26)12-19-28)23-10-14-25(15-11-23)13-9-22-6-4-3-5-7-22/h3-7,21,23-24,28H,8-20H2,1-2H3/p+1/t24-/m0/s1