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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-(2-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-(2-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(2-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=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H29N3O/c1-16(2)13-23-11-10-22(15-19(23)9-12-24)14-18-8-7-17-5-3-4-6-20(17)21-18/h3-8,16,19,24H,9-15H2,1-2H3/p+1/t19-/m0/s1