(6-chloranyl-2-pyridin-4-yl-quinolin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (6-chloranyl-2-pyridin-4-yl-quinolin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-chloro-2-(4-pyridyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (6-chloro-2-pyridin-4-yl-4-quinolinyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-chloro-2-(4-pyridyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H21ClN4O/c1-2-25-9-11-26(12-10-25)21(27)18-14-20(15-5-7-23-8-6-15)24-19-4-3-16(22)13-17(18)19/h3-8,13-14H,2,9-12H2,1H3/p+1