4-[4-(quinolin-2-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(quinolin-2-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(2-quinolylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(2-quinolinylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(quinolin-2-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(2-quinolylmethyl)piperazin-4-ium-1-yl]phenol Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H21N3O/c24-19-9-7-18(8-10-19)23-13-11-22(12-14-23)15-17-6-5-16-3-1-2-4-20(16)21-17/h1-10,24H,11-15H2/p+1