2-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one CAS Name: 2-[4-oxo-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H29N5O3/c28-20(9-5-8-19-23-18-7-2-1-6-17(18)22(30)24-19)27-14-12-25(13-15-27)16-21(29)26-10-3-4-11-26/h1-2,6-7H,3-5,8-16H2,(H,23,24,30)/p+1