7-chloranyl-1-prop-2-ynyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one

Systemtic Name: 7-chloranyl-1-prop-2-ynyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one Openeye Name: 7-chloro-1-prop-2-ynyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one CAS Name: 7-chloro-1-prop-2-ynyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-quinolinone IUPAC Name: 7-chloro-1-prop-2-ynyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one Traditional Name: 7-chloro-1-propargyl-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]carbostyril Formula: C22H22ClN4O+ MolecularWeight: 393.88928

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)Cl)C=C(C1=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)Cl)C=C(C1=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21ClN4O/c1-2-9-27-20-15-19(23)7-6-17(20)14-18(22(27)28)16-25-10-12-26(13-11-25)21-5-3-4-8-24-21/h1,3-8,14-15H,9-13,16H2/p+1