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

Systemtic Name: 1-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-4-cinnolinone IUPAC Name: 1-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]cinnolin-4-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C24H28N4O2/c1-18(2)20-9-7-19(8-10-20)16-26-11-13-27(14-12-26)24(30)17-28-22-6-4-3-5-21(22)23(29)15-25-28/h3-10,15,18H,11-14,16-17H2,1-2H3/p+1