2-[1-(1-piperazin-1-ylethyl)-2-pyridin-4-yl-2H-quinolin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(1-piperazin-1-ylethyl)-2-pyridin-4-yl-2H-quinolin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(1-piperazin-1-ylethyl)-2-(4-pyridyl)-2H-quinolin-1-ium-1-yl]acetamide CAS Name: 2-[1-[1-(1-piperazinyl)ethyl]-2-pyridin-4-yl-2H-quinolin-1-ium-1-yl]acetamide IUPAC Name: 2-[1-(1-piperazin-1-ylethyl)-2-pyridin-4-yl-2H-quinolin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(1-piperazinoethyl)-2-(4-pyridyl)-2H-quinolin-1-ium-1-yl]acetamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCNCC1)[N+]2(C(C=CC3=CC=CC=C32)C4=CC=NC=C4)CC(=O)N

Isomeric SMILES

CC(N1CCNCC1)[N+]2(C(C=CC3=CC=CC=C32)C4=CC=NC=C4)CC(=O)N

InChI

InChI=1S/C22H27N5O/c1-17(26-14-12-25-13-15-26)27(16-22(23)28)20-5-3-2-4-18(20)6-7-21(27)19-8-10-24-11-9-19/h2-11,17,21,25H,12-16H2,1H3,(H-,23,28)/p+1