1-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]cinnolin-4-one Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H21ClN4O2/c22-17-5-3-4-16(12-17)14-24-8-10-25(11-9-24)21(28)15-26-19-7-2-1-6-18(19)20(27)13-23-26/h1-7,12-13H,8-11,14-15H2/p+1