2-[4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H26N6O2/c22-7-10-27-19(23-18-6-2-1-5-17(18)21(27)29)15-24-11-13-25(14-12-24)16-20(28)26-8-3-4-9-26/h1-2,5-6H,3-4,8-16H2/p+1