2-[(2S)-1-(2-methylpropyl)-4-(quinolin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-(4-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-(4-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(4-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC=NC3=CC=CC=C23

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C20H29N3O/c1-16(2)13-23-11-10-22(15-18(23)8-12-24)14-17-7-9-21-20-6-4-3-5-19(17)20/h3-7,9,16,18,24H,8,10-15H2,1-2H3/p+1/t18-/m0/s1