4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H31N5O3/c1-2-10-28-22(30)19-9-5-4-8-18(19)21(24-28)23(31)27-15-13-25(14-16-27)17-20(29)26-11-6-3-7-12-26/h4-5,8-9H,2-3,6-7,10-17H2,1H3/p+1