2-[(2S)-1-(2-methylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-(6-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(6-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=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C=C2)N=CC=C3

InChI

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